Compound ID | 2246

Update compound information

Ticagrelor

Synonym(s): AZD6140

Class: Nucleoside analogue

Spectrum of activity: Gram-positive
Details of activity: Active against Clostridium difficile; disrupts cell membrane
Description: Synthetic compound; repurposed drug which functions as a platelet aggregation inhibitor; has additive effect with metronidazole and vancomycin
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 522.57
Iso. SMILES: CCCSC1=NC(=C2C(=N1)N(N=N2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F
InChI Key: OEKWJQXRCDYSHL-FNOIDJSQSA-N
Can. SMILES: CCCSC1=NC2=C(C(=N1)N[C@@H]3C[C@H]3C4=CC=C(C(=C4)F)F)N=NN2[C@@H]5C[C@@H]([C@H]([C@H]5O)O)OCCO
InChI: InChI=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
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/9871419
Citations:
  • https://jamanetwork.com/journals/jamacardiology/fullarticle/2732487
  • https://www.nature.com/articles/s41598-020-63199-x#Sec1

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