Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H17N9 |
| Molecular Weight | 383.4093 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C=C(C=N1)C2=CN3N=CC=C3C(=N2)C4=CN(N=C4)[C@@]5(CC#N)C[C@@H](C5)C#N
InChI
InChIKey=XPLZTJWZDBFWDE-OYOVHJISSA-N
InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20-
| Molecular Formula | C20H17N9 |
| Molecular Weight | 383.4093 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
7.8 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
3 mg single, oral dose: 3 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
47.1 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
77.9 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
30 mg single, oral dose: 30 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
166.8 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
404.8 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
1218 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
1600 mg single, oral dose: 1600 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
85.3 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
30 mg 1 times / day multiple, oral dose: 30 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
263.2 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
100 mg 1 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
339.5 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
667.3 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
400 mg 1 times / day multiple, oral dose: 400 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
1855 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
1200 mg 1 times / day multiple, oral dose: 1200 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
47.6 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
3 mg single, oral dose: 3 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
369.3 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
848.4 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
30 mg single, oral dose: 30 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
1582 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
3056 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
11790 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
1600 mg single, oral dose: 1600 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
752.9 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
30 mg 1 times / day multiple, oral dose: 30 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
1952 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
100 mg 1 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
2010 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
5420 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
400 mg 1 times / day multiple, oral dose: 400 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
14890 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
1200 mg 1 times / day multiple, oral dose: 1200 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
3.6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
3 mg single, oral dose: 3 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
19.7 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
30 mg single, oral dose: 30 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
38.8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
100 mg single, oral dose: 100 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
16.3 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
400 mg single, oral dose: 400 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
22.2 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
1600 mg single, oral dose: 1600 mg route of administration: Oral experiment type: SINGLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED |
|
8.8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
30 mg 1 times / day multiple, oral dose: 30 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
12.7 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
100 mg 1 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
26.9 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
7.5 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
400 mg 1 times / day multiple, oral dose: 400 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
|
34.3 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/33290616/ |
1200 mg 1 times / day multiple, oral dose: 1200 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
ROPSACITINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 21:31:02 GMT 2025
by
admin
on
Tue Apr 01 21:31:02 GMT 2025
|
| Record UNII |
HY5SOV7O0Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Preferred Name | English | ||
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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HI-189
Created by
admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025
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300000033907
Created by
admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025
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PRIMARY | |||
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C180657
Created by
admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025
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HY5SOV7O0Q
Created by
admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025
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PRIMARY | |||
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2127109-84-4
Created by
admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025
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PRIMARY | |||
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11834
Created by
admin on Tue Apr 01 21:31:02 GMT 2025 , Edited by admin on Tue Apr 01 21:31:02 GMT 2025
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PRIMARY |
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JH1 Binding site
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NON-INHIBITOR->OFF TARGET |
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ACTIVE MOIETY |
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