ticagrelor (brilinta) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA MeSH PubChem repoDB

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Chemistry

Mol. Mass

522.568

ALogP

2.01

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCSC1=NC(N[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4N=NN([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)C4=N1
  • InChIKey: OEKWJQXRCDYSHL-FNOIDJSQSA-N
    1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL398435   ChEMBL
ticagrelor

GLH0314RVC   NCATS
ticagrelor *

Ticagrelor   Wikipedia

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