Details of the Drug

General Information of Drug (ID: DMC40SD)

Drug Name

Darexaban maleate

Synonyms

Darexaban maleate; UNII-03RTP2436R; 365462-24-4; 03RTP2436R; YM150; Darexaban maleate (JAN); SCHEMBL5406349; CHEMBL1922345; D09817; N-[2-[[4-(Hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzoyl]amino]-3-hydroxyphenyl]-4-methoxybenzamide (2Z)-2-Butenedioate

Indication

Disease Entry	ICD 11	Status	REF
Acute coronary syndrome	BA41	Discontinued in Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
1

Molecular Weight

590.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

8

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

10

Chemical Identifiers

Formula: C31H34N4O8
IUPAC Name: (Z)-but-2-enedioic acid;N-[2-hydroxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide
Canonical SMILES: CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3O)NC(=O)C4=CC=C(C=C4)OC.C(=C\\C(=O)O)\\C(=O)O
InChI: InChI=1S/C27H30N4O4.C4H4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20;5-3(6)1-2-4(7)8/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey: WHMPMUVISXATBH-BTJKTKAUSA-N

Cross-matching ID

PubChem CID: 49843900
CAS Number: 365462-24-4
TTD ID: D07OGZ

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor Xa (F10)	TTCIHJA	FA10_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Acute coronary syndrome

ICD Disease Classification

BA41

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Coagulation factor Xa (F10)	DTT	F10	4.84E-02	-0.28	-0.9

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800020726)
2	The pharmacokinetics of darexaban are not affected to a clinically relevant degree by rifampicin, a strong inducer of P-glycoprotein and CYP3A4. Br J Clin Pharmacol. 2013 Feb;75(2):440-9.