Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H26N4O5S |
| Molecular Weight | 470.541 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC(=O)C1=C(C)N=C(N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C(=C1)C#N
InChI
InChIKey=NEMHKCNXXRQYRF-UHFFFAOYSA-N
InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-13-19(14-24)21(25-16(20)2)27-11-9-18(10-12-27)22(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15H2,1-2H3,(H,26,28)
| Molecular Formula | C23H26N4O5S |
| Molecular Weight | 470.541 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: Q9H244 Gene ID: 64805.0 Gene Symbol: P2RY12 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23899349 |
31.5 nM [Ki] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Structure of the human P2Y12 receptor in complex with an antithrombotic drug. | 2014-05-01 |
|
| 5-alkyl-1,3-oxazole derivatives of 6-amino-nicotinic acids as alkyl ester bioisosteres are antagonists of the P2Y12 receptor. | 2013-11 |
|
| Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283. | 2013-09-12 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 13:52:00 GMT 2025
by
admin
on
Wed Apr 02 13:52:00 GMT 2025
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| Record UNII |
KDT372MQ8M
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| Record Status |
Validated (UNII)
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| Record Version |
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KDT372MQ8M
Created by
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23649325
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919351-41-0
Created by
admin on Wed Apr 02 13:52:00 GMT 2025 , Edited by admin on Wed Apr 02 13:52:00 GMT 2025
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