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]
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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
CAS Number: 218298-21-6
TTD ID: D0ON2Z

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.