Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H25F3N4O |
| Molecular Weight | 418.4553 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)[C@H]1CC[C@@H](CC1)NC2=NN3C(C=C2)=NC=C3C4=CC=CC(=C4)C(F)(F)F
InChI
InChIKey=XRNVABDYQLHODA-JCNLHEQBSA-N
InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)/t15-,17-
| Molecular Formula | C22H25F3N4O |
| Molecular Weight | 418.4553 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2147 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24953177 |
5.0 nM [Ki] | ||
Target ID: CHEMBL5407 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24953177 |
42.0 nM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 17:18:14 GMT 2025
by
admin
on
Tue Apr 01 17:18:14 GMT 2025
|
| Record UNII |
EOB0N7BOY4
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
EOB0N7BOY4
Created by
admin on Tue Apr 01 17:18:14 GMT 2025 , Edited by admin on Tue Apr 01 17:18:14 GMT 2025
|
PRIMARY | |||
|
12994
Created by
admin on Tue Apr 01 17:18:14 GMT 2025 , Edited by admin on Tue Apr 01 17:18:14 GMT 2025
|
PRIMARY | |||
|
C160203
Created by
admin on Tue Apr 01 17:18:14 GMT 2025 , Edited by admin on Tue Apr 01 17:18:14 GMT 2025
|
PRIMARY | |||
|
1361951-15-6
Created by
admin on Tue Apr 01 17:18:14 GMT 2025 , Edited by admin on Tue Apr 01 17:18:14 GMT 2025
|
PRIMARY | |||
|
300000048772
Created by
admin on Tue Apr 01 17:18:14 GMT 2025 , Edited by admin on Tue Apr 01 17:18:14 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET->WEAK INHIBITOR |
IC50
|
||
|
OFF TARGET->NON-INHIBITOR |
IC50
|
||
|
TARGET -> INHIBITOR |
IC50
|
||
|
TARGET -> INHIBITOR |
IC50
|
||
|
SALT/SOLVATE -> PARENT |
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
Originator: Tolero Pharmaceuticals; Mechanism of Action: 1 Phosphatidylinositol 3 kinase inhibitor, Proto oncogene protein c pim 1 inhibito
|