Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C30H29ClN6O4 |
| Molecular Weight | 573.042 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=C(NC(=O)\C=C\C[N+](C)(C)[O-])C=C2C(=C1)N=CC(C#N)=C2NC3=CC(Cl)=C(OCC4=NC=CC=C4)C=C3
InChI
InChIKey=DREVEVQWSRJACN-VQHVLOKHSA-N
InChI=1S/C30H29ClN6O4/c1-4-40-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2,3)39)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)41-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
| Molecular Formula | C30H29ClN6O4 |
| Molecular Weight | 573.042 |
| 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
Thu Jul 06 21:21:09 UTC 2023
by
admin
on
Thu Jul 06 21:21:09 UTC 2023
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| Record UNII |
QUH15J9Q1Q
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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QUH15J9Q1Q
Created by
admin on Thu Jul 06 21:21:09 UTC 2023 , Edited by admin on Thu Jul 06 21:21:09 UTC 2023
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87687267
Created by
admin on Thu Jul 06 21:21:09 UTC 2023 , Edited by admin on Thu Jul 06 21:21:09 UTC 2023
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1376615-55-2
Created by
admin on Thu Jul 06 21:21:09 UTC 2023 , Edited by admin on Thu Jul 06 21:21:09 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
Reference: NERATINIB IC50 = 17 nM
INHIBITOR
IC50
|
||
|
TARGET -> INHIBITOR |
Reference: NERATINIB IC50 = 2.7 nM
INHIBITOR
IC50
|
||
|
TARGET -> INHIBITOR |
NERATINIB was not evaluated.
INHIBITOR
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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PARENT -> METABOLITE LESS ACTIVE |
IC50 for HER2 kinase activity was up to 19 fold higher when compared to neratinib.
INHIBITOR
IC50
|
