Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H27ClN6O3 |
| Molecular Weight | 543.016 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=C(NC(=O)\C=C\CNC)C=C2C(=C1)N=CC(C#N)=C2NC3=CC(Cl)=C(OCC4=NC=CC=C4)C=C3
InChI
InChIKey=PBRLDMHPDXNMBV-SOFGYWHQSA-N
InChI=1S/C29H27ClN6O3/c1-3-38-27-15-24-22(14-25(27)36-28(37)8-6-11-32-2)29(19(16-31)17-34-24)35-20-9-10-26(23(30)13-20)39-18-21-7-4-5-12-33-21/h4-10,12-15,17,32H,3,11,18H2,1-2H3,(H,34,35)(H,36,37)/b8-6+
| Molecular Formula | C29H27ClN6O3 |
| Molecular Weight | 543.016 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:55:29 GMT 2023
by
admin
on
Sat Dec 16 13:55:29 GMT 2023
|
| Record UNII |
757QYS9GL9
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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757QYS9GL9
Created by
admin on Sat Dec 16 13:55:29 GMT 2023 , Edited by admin on Sat Dec 16 13:55:29 GMT 2023
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11961295
Created by
admin on Sat Dec 16 13:55:29 GMT 2023 , Edited by admin on Sat Dec 16 13:55:29 GMT 2023
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915788-27-1
Created by
admin on Sat Dec 16 13:55:29 GMT 2023 , Edited by admin on Sat Dec 16 13:55:29 GMT 2023
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PRIMARY |
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TARGET -> INHIBITOR |
Autophosphorylation assay (reference: NERATINIB IC50 = 12 nM)
INHIBITOR
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TARGET -> INHIBITOR |
Autophosphorylation assay (reference: NERATINIB IC50 = 19 nM)
INHIBITOR
IC50
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TARGET -> INHIBITOR |
Autophosphorylation assay (reference: NERATINIB IC50 = 39 nM)
INHIBITOR
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
