Details of the Drug

General Information of Drug (ID: DM8JRH0)

Drug Name
Cangrelor
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)
Indication
Disease Entry ICD 11 Status REF
Thrombosis DB61-GB90 Approved [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 776.4
Topological Polar Surface Area (xlogp) -1
Rotatable Bond Count (rotbonds) 15
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 21
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 9.06 mL/min/kg [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 3 - 6 minutes [3]
Metabolism
The drug is metabolized via the dephosphorylation to its primary metabolite [4]
Unbound Fraction
The unbound fraction of drug in plasma is 0.02% [3]
Vd
The volume of distribution (Vd) of drug is 3.9 L [5]
Chemical Identifiers
Formula
C17H25Cl2F3N5O12P3S2
IUPAC Name
[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
Canonical SMILES
CSCCNC1=C2C(=NC(=N1)SCCC(F)(F)F)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)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
InChIKey
PAEBIVWUMLRPSK-IDTAVKCVSA-N
Cross-matching ID
PubChem CID
9854012
ChEBI ID
CHEBI:90841
CAS Number
163706-06-7
DrugBank ID
DB06441
TTD ID
D09QBG
ACDINA ID
D00908

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
P2Y purinoceptor 12 (P2RY12) TTZ1DT0 P2Y12_HUMAN Antagonist [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Cangrelor
DDI Drug Name DDI Drug ID Severity Mechanism Disease REF
Apixaban DM89JLN Major Increased risk of bleeding by the combination of Cangrelor and Apixaban. Thrombosis [DB61-GB90] [15]
Coadministration of a Drug Treating the Disease Different from Cangrelor (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Levomilnacipran DMV26S8 Moderate Increased risk of bleeding by the combination of Cangrelor and Levomilnacipran. Chronic pain [MG30] [16]
Regorafenib DMHSY1I Major Increased risk of bleeding by the combination of Cangrelor and Regorafenib. Colorectal cancer [2B91] [15]
Intedanib DMSTA36 Moderate Increased risk of bleeding by the combination of Cangrelor and Intedanib. Colorectal cancer [2B91] [17]
Ardeparin DMYRX8B Major Increased risk of bleeding by the combination of Cangrelor and Ardeparin. Coronary thrombosis [BA43] [15]
Danaparoid DM6CLBN Major Increased risk of bleeding by the combination of Cangrelor and Danaparoid. Deep vein thrombosis [BD71] [18]
Vilazodone DM4LECQ Moderate Increased risk of bleeding by the combination of Cangrelor and Vilazodone. Depression [6A70-6A7Z] [16]
Vortioxetine DM6F1PU Moderate Increased risk of bleeding by the combination of Cangrelor and Vortioxetine. Depression [6A70-6A7Z] [16]
Desvenlafaxine DMHD4PE Moderate Increased risk of bleeding by the combination of Cangrelor and Desvenlafaxine. Depression [6A70-6A7Z] [16]
Apigenin DMI3491 Minor Increased risk of bleeding by the combination of Cangrelor and Apigenin. Discovery agent [N.A.] [19]
Avapritinib DMK2GZX Major Increased risk of bleeding by the combination of Cangrelor and Avapritinib. Gastrointestinal stromal tumour [2B5B] [15]
Calaspargase pegol DMQZBXI Moderate Increased risk of bleeding by the combination of Cangrelor and Calaspargase pegol. Malignant haematopoietic neoplasm [2B33] [20]
Acalabrutinib DM7GCVW Major Increased risk of bleeding by the combination of Cangrelor and Acalabrutinib. Mature B-cell lymphoma [2A85] [21]
Ibrutinib DMHZCPO Major Increased risk of bleeding by the combination of Cangrelor and Ibrutinib. Mature B-cell lymphoma [2A85] [22]
Ponatinib DMYGJQO Major Increased risk of bleeding by the combination of Cangrelor and Ponatinib. Mature B-cell lymphoma [2A85] [23]
Panobinostat DM58WKG Major Increased risk of bleeding by the combination of Cangrelor and Panobinostat. Multiple myeloma [2A83] [24]
Vorapaxar DMA16BR Major Increased risk of bleeding by the combination of Cangrelor and Vorapaxar. Myocardial infarction [BA41-BA43] [15]
Nepafenac DMYK490 Moderate Increased risk of bleeding by the combination of Cangrelor and Nepafenac. Osteoarthritis [FA00-FA05] [25]
MK-4827 DMLYGH4 Moderate Increased risk of bleeding by the combination of Cangrelor and MK-4827. Ovarian cancer [2C73] [15]
Curcumin DMQPH29 Minor Increased risk of bleeding by the combination of Cangrelor and Curcumin. Solid tumour/cancer [2A00-2F9Z] [26]
Cabozantinib DMIYDT4 Major Increased risk of bleeding by the combination of Cangrelor and Cabozantinib. Thyroid cancer [2D10] [27]
Betrixaban DM2C4RF Major Increased risk of bleeding by the combination of Cangrelor and Betrixaban. Venous thromboembolism [BD72] [18]
⏷ Show the Full List of 21 DDI Information of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Mannitol E00103 6251 Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Sodium hydroxide E00234 14798 Alkalizing agent
Sorbitan tristearate E00516 17800859 Dispersing agent; Emulsifying agent; Solubilizing agent; Surfactant; Suspending agent; Vaccine adjuvant
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Cangrelor 50mg/vial powder 50mg/vial Powder Intravenous
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

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2 ClinicalTrials.gov (NCT00385138) Cangrelor Versus Standard Therapy to Achieve Optimal Management of Platelet Inhibition.. U.S. National Institutes of Health.
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
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5 An FDA phase I clinical trial of quinacrine sterilization (QS). Int J Gynaecol Obstet. 2003 Oct;83 Suppl 2:S45-9.
6 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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12 Pharmacological characterization of the human P2Y11 receptor. Br J Pharmacol. 1999 Nov;128(6):1199-206.
13 Molecular cloning of the platelet P2T(AC) ADP receptor: pharmacological comparison with another ADP receptor, the P2Y(1) receptor. Mol Pharmacol. 2001 Sep;60(3):432-9.
14 Stereoselective inhibition of human platelet aggregation by R-138727, the active metabolite of CS-747 (prasugrel, LY640315), a novel P2Y12 receptor inhibitor. Thromb Haemost. 2005 Sep;94(3):593-8.
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18 Bodiford AB, Kessler FO, Fermo JD, Ragucci KR "Elevated international normalized ratio with the consumption of grapefruit and use of warfarin." SAGE Open Med Case Rep 0 (2013): 1-3. [PMID: 27489634]
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23 Product Information. Iclusig (ponatinib). Ariad Pharmaceuticals Inc, Cambridge, MA.
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27 Product Information. Cometriq (cabozantinib). Exelixis Inc, S San Francisco, CA.