Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H13F4N5O2S |
| Molecular Weight | 463.408 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(=O)C1=CC=C(C=C1F)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F
InChI
InChIKey=BAANHOAPFBHUDX-UHFFFAOYSA-N
InChI=1S/C20H13F4N5O2S/c21-14-7-10(2-3-12(14)16(26)30)29-18(32)28(17(31)19(29)4-1-5-19)11-6-13(20(22,23)24)15(8-25)27-9-11/h2-3,6-7,9H,1,4-5H2,(H2,26,30)
| Molecular Formula | C20H13F4N5O2S |
| Molecular Weight | 463.408 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 23:57:33 GMT 2025
by
admin
on
Tue Apr 01 23:57:33 GMT 2025
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| Record UNII |
13RV85F63R
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Common 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 | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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1332391-11-3
Created by
admin on Tue Apr 01 23:57:33 GMT 2025 , Edited by admin on Tue Apr 01 23:57:33 GMT 2025
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PRIMARY | |||
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86683490
Created by
admin on Tue Apr 01 23:57:33 GMT 2025 , Edited by admin on Tue Apr 01 23:57:33 GMT 2025
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DTXSID501336279
Created by
admin on Tue Apr 01 23:57:33 GMT 2025 , Edited by admin on Tue Apr 01 23:57:33 GMT 2025
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PRIMARY | |||
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13RV85F63R
Created by
admin on Tue Apr 01 23:57:33 GMT 2025 , Edited by admin on Tue Apr 01 23:57:33 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IC50
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BINDER->LIGAND |
BINDING
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EXCRETED UNCHANGED |
FECAL
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EXCRETED UNCHANGED |
URINE
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TARGET -> INHIBITOR |
OFF-TARGET ACTIVITY: INHIBITING LIGAND BINDING TO GABAA CHLORIDE ION CHANNEL
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OFF-TARGET->INHIBITOR |
IC50
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BINDER->LIGAND |
BINDING
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
M3 was approximately 3-fold less potent than APALUTAMIDE
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Volume of Distribution | PHARMACOKINETIC |
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ROUTE OF ADMINISTRATION PHARMACOKINETIC |
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| Biological Half-life | PHARMACOKINETIC |
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ROUTE OF ADMINISTRATION PHARMACOKINETIC |
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| Cmax | PHARMACOKINETIC |
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DOSE PHARMACOKINETIC PHARMACOKINETIC |
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