cangrelor   Click here for help

GtoPdb Ligand ID: 1776

Synonyms: AR-C69931MX | ARL69931 | Kengreal® | Kengrexal®
Approved drug
cangrelor is an approved drug (FDA & EMA (2015))
Compound class: Synthetic organic
Comment: Cangrelor is an intravenously administered antiplatelet compound.
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View more information in the IUPHAR Pharmacology Education Project: cangrelor

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 16
Topological polar surface area 335.94
Molecular weight 774.95
XLogP -0.41
No. Lipinski's rules broken 3
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Canonical SMILES CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(C(C1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O
Isomeric SMILES CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O
InChI InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GPR17 Mm Antagonist Antagonist 8.9 pIC50 - 3
pIC50 8.9 (IC50 1.2x10-9 M) [3]
P2Y12 receptor Primary target of this compound Hs Antagonist Antagonist 8.0 – 9.4 pIC50 - 1,5
pIC50 9.4 (IC50 4x10-10 M) [1]
pIC50 8.0 [5]
P2Y13 receptor Hs Antagonist Antagonist 8.3 pIC50 - 4
pIC50 8.3 [4]
Ligand mentioned in the following text fields