Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C29H33ClN6 |
| Molecular Weight | 501.066 |
| Optical Activity | NONE |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@H]1CN(CC2=CC(=CC(NC3=NC=C(Cl)C(=N3)C4=CNC5=C4C=CC(C)=C5)=C2)C6CC6)C[C@@H](C)N1
InChI
InChIKey=FZLSDZZNPXXBBB-KDURUIRLSA-N
InChI=1S/C29H33ClN6/c1-17-4-7-24-25(12-31-27(24)8-17)28-26(30)13-32-29(35-28)34-23-10-20(9-22(11-23)21-5-6-21)16-36-14-18(2)33-19(3)15-36/h4,7-13,18-19,21,31,33H,5-6,14-16H2,1-3H3,(H,32,34,35)/t18-,19+
| Molecular Formula | C29H33ClN6 |
| Molecular Weight | 501.066 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Thu Jul 06 19:57:35 UTC 2023
by
admin
on
Thu Jul 06 19:57:35 UTC 2023
|
| Record UNII |
C0WUS7XXE9
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
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Official Name | English | ||
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Code | 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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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C0WUS7XXE9
Created by
admin on Thu Jul 06 19:57:36 UTC 2023 , Edited by admin on Thu Jul 06 19:57:36 UTC 2023
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2294874-49-8
Created by
admin on Thu Jul 06 19:57:36 UTC 2023 , Edited by admin on Thu Jul 06 19:57:36 UTC 2023
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12330
Created by
admin on Thu Jul 06 19:57:36 UTC 2023 , Edited by admin on Thu Jul 06 19:57:36 UTC 2023
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C165254
Created by
admin on Thu Jul 06 19:57:36 UTC 2023 , Edited by admin on Thu Jul 06 19:57:36 UTC 2023
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KL-178
Created by
admin on Thu Jul 06 19:57:36 UTC 2023 , Edited by admin on Thu Jul 06 19:57:36 UTC 2023
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DB15343
Created by
admin on Thu Jul 06 19:57:36 UTC 2023 , Edited by admin on Thu Jul 06 19:57:36 UTC 2023
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135390910
Created by
admin on Thu Jul 06 19:57:36 UTC 2023 , Edited by admin on Thu Jul 06 19:57:36 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLIC ENZYME -> INHIBITOR |
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TARGET -> INHIBITOR |
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METABOLIC ENZYME -> SUBSTRATE | |||
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METABOLIC ENZYME -> SUBSTRATE | |||
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TARGET -> INHIBITOR |
ALSO ACTIVE AGAINST FLT3 ITD and FLT3 D835Y kinases were 1.8 nM and 1.0 nM
IC50
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TARGET -> INHIBITOR |
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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TARGET -> INHIBITOR |
ALSO ACTIVE AGAINST FLT3 ITD and FLT3 D835Y kinases were 1.8 nM and 1.0 nM
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OFF-TARGET->INHIBITOR |
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METABOLIC ENZYME -> INHIBITOR |
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SOLVATE->ANHYDROUS |
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TARGET -> INHIBITOR |
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METABOLIC ENZYME -> INHIBITOR |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
