Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H22ClN7O2 |
| Molecular Weight | 451.909 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(=CC=C1Cl)N2CCN(CC2)C(=O)CN3N=C(C4=NC=CN4)C5=C3N=CC=C5
InChI
InChIKey=ZIMLRKWQDLVPEK-UHFFFAOYSA-N
InChI=1S/C22H22ClN7O2/c1-32-18-13-15(4-5-17(18)23)28-9-11-29(12-10-28)19(31)14-30-22-16(3-2-6-26-22)20(27-30)21-24-7-8-25-21/h2-8,13H,9-12,14H2,1H3,(H,24,25)
| Molecular Formula | C22H22ClN7O2 |
| Molecular Weight | 451.909 |
| 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 17:06:58 GMT 2025
by
admin
on
Tue Apr 01 17:06:58 GMT 2025
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| Record UNII |
22PQS5K5TY
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| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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1359144-02-7
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admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
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NO STRUCTURE GIVEN | |||
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1010073-75-2
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admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
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CHEMBL3545404
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admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
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300000041480
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admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
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DB12963
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admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
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135565361
Created by
admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
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22PQS5K5TY
Created by
admin on Tue Apr 01 17:06:58 GMT 2025 , Edited by admin on Tue Apr 01 17:06:58 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
Demonstrated a good pharmacokinetic profile (Dairaghi et al., 2011) and acceptable safety and efficacy in a randomized, placebo-controlled phase
2a study with RA patient.
|