Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09QBG
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| Former ID |
DNCL001859
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| Drug Name |
Cangrelor
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| Synonyms |
Cangrelor; 163706-06-7; Kengreal; UNII-6AQ1Y404U7; AR-C69931XX; CHEMBL334966; 6AQ1Y404U7; kengrexal; 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine; 5'-Adenylicacid,N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-,anhydridewithP,P'-(dichloromethylene)bis[phosphonicacid](1:1)
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| Drug Type |
Small molecular drug
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| Indication | Thrombosis [ICD-11: DB61-GB90; ICD-10: I80-I82] | Approved | [1], [2] | |
| Company |
The Medicines Company
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| Structure |
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Download2D MOL |
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| Formula |
C17H25Cl2F3N5O12P3S2
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| Canonical SMILES |
CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O)O
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| 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
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| InChIKey |
PAEBIVWUMLRPSK-IDTAVKCVSA-N
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| CAS Number |
CAS 163706-06-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:90841
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| ADReCS Drug ID | BADD_D00348 | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | P2Y purinoceptor 12 (P2RY12) | Target Info | Antagonist | [3] |
| KEGG Pathway | Platelet activation | |||
| Reactome | P2Y receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Signal amplification | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1776). | |||
| REF 2 | ClinicalTrials.gov (NCT00385138) Cangrelor Versus Standard Therapy to Achieve Optimal Management of Platelet Inhibition.. U.S. National Institutes of Health. | |||
| REF 3 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 328). | |||
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