Drug Information

General Information
Drug ID
DR00241
Drug Name
Dabigatran
Synonyms
Pradaxa (TN)
Drug Type
Small molecular drug
Indication Stroke in atrial fibrillation [ICD11:8B11.20] Approved [1]
Structure
3D MOL 2D MOL
Formula
C25H25N7O3
Canonical SMILES
CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)
InChIKey
YBSJFWOBGCMAKL-UHFFFAOYSA-N
CAS Number
CAS 211915-06-9
Pharmaceutical Properties Molecular Weight 471.5 Topological Polar Surface Area 150
Heavy Atom Count 35 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
XLogP
1.7
PubChem CID
216210
PubChem SID
103232921 ,104006599 ,104253515 ,113461116 ,12015494 ,121277971 ,123122714 ,124490447 ,124757639 ,124772068 ,125164443 ,125822865 ,126651872 ,126665964 ,129772675 ,131305133 ,131549347 ,134224804 ,135134764 ,136348815 ,136920294 ,140292608 ,14883023 ,160646055 ,162010600 ,162037810 ,162172470 ,163686003 ,164193964 ,164783663 ,170504552 ,172087014 ,174006835 ,174528322 ,175265508 ,175443957 ,176245450 ,176485017 ,178102998 ,179322220 ,185988946 ,198991425 ,210280292 ,223394408 ,223541401 ,223664107 ,30419956 ,52055923 ,57399744 ,9372790
ChEBI ID
ChEBI:70752
TTD Drug ID
D0M7JT
DT(s) Transporting This Drug P-GP Transporter Info P-glycoprotein 1 Substrate [2]
References
1 Dabigatran was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019)
2 Influence of ABCB11 and HNF4 genes on daclatasvir plasma concentration: preliminary pharmacogenetic data from the Kineti-C study. J Antimicrob Chemother. 2017 Oct 1;72(10):2846-2849.

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