Details of the Drug

General Information of Drug (ID: DMPML15)

Drug Name
RAZAXABAN
Synonyms
Razaxaban Hydrochloride; UNII-7CLJ1MEZ8V; BMS-561389; 7CLJ1MEZ8V; 405940-76-3; DPC 906; Razaxaban Hydrochloride [USAN]; Razaxaban hydrochloride (USAN); CHEMBL558198; DPC-906; BMS 561389; Razaxaban HCl; AC1L4BWY; SCHEMBL6885838; DTXSID10193598; Razaxaban hydrochloride, > D04029; 1H-Pyrazole-5-carboxamide, 1-(3-amino-1,2-benzisoxazol-5-yl)-N-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-, monohydrochloride
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 528.5
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C24H20F4N8O2
IUPAC Name
2-(3-amino-1,2-benzoxazol-5-yl)-N-[4-[2-[(dimethylamino)methyl]imidazol-1-yl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
Canonical SMILES
CN(C)CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F
InChI
InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
InChIKey
OFJRNBWSFXEHSA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
204102
ChEBI ID
CHEMBL206335
CAS Number
218298-21-6
TTD ID
D0ON2Z
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Coagulation factor IIa (F2) TT6L509 THRB_HUMAN Inhibitor [1]
Coagulation factor IX (F9) TTFEZ5Q FA9_HUMAN Inhibitor [2]
Coagulation factor Va (F5) TT1O264 FA5_HUMAN Inhibitor [2]
Coagulation factor Xa (F10) TTCIHJA FA10_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Phenyltriazolinones as potent factor Xa inhibitors. Bioorg Med Chem Lett. 2010 Feb 15;20(4):1373-7.
2 Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1795-8.
3 Discovery of 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide (apixaban, BMS... J Med Chem. 2007 Nov 1;50(22):5339-56.