Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H25ClN2O4S |
| Molecular Weight | 484.995 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@]1(CCN1C(=O)C2=CSC3=C2C=CC=C3)C(=O)N(CCCC(O)=O)CC4=CC=CC(Cl)=C4
InChI
InChIKey=MPMKMQHJHDHPBE-RUZDIDTESA-N
InChI=1S/C25H25ClN2O4S/c1-25(11-13-28(25)23(31)20-16-33-21-9-3-2-8-19(20)21)24(32)27(12-5-10-22(29)30)15-17-6-4-7-18(26)14-17/h2-4,6-9,14,16H,5,10-13,15H2,1H3,(H,29,30)/t25-/m1/s1
| Molecular Formula | C25H25ClN2O4S |
| Molecular Weight | 484.995 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL5493 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28526687 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 20:57:03 GMT 2025
by
admin
on
Tue Apr 01 20:57:03 GMT 2025
|
| Record UNII |
X7REK61AIS
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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DB15406
Created by
admin on Tue Apr 01 20:57:03 GMT 2025 , Edited by admin on Tue Apr 01 20:57:03 GMT 2025
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57520598
Created by
admin on Tue Apr 01 20:57:03 GMT 2025 , Edited by admin on Tue Apr 01 20:57:03 GMT 2025
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X7REK61AIS
Created by
admin on Tue Apr 01 20:57:03 GMT 2025 , Edited by admin on Tue Apr 01 20:57:03 GMT 2025
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PRIMARY | |||
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300000041460
Created by
admin on Tue Apr 01 20:57:03 GMT 2025 , Edited by admin on Tue Apr 01 20:57:03 GMT 2025
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PRIMARY | |||
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1391075-84-5
Created by
admin on Tue Apr 01 20:57:03 GMT 2025 , Edited by admin on Tue Apr 01 20:57:03 GMT 2025
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NON-SPECIFIC STEREOCHEMISTRY | |||
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1391076-61-1
Created by
admin on Tue Apr 01 20:57:03 GMT 2025 , Edited by admin on Tue Apr 01 20:57:03 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Ki
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BINDER->LIGAND |
BINDING
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TARGET -> INHIBITOR |
Inhibition of Acetate-Induced Human Neutrophil Migration
ANTAGONIST
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |