Details of the Drug

General Information of Drug (ID: DM2MV9O)

Drug Name

DIRLOTAPIDE

Synonyms

Dirlotapide; Slentrol; UNII-578H0RMP25; 481658-94-0; CHEMBL410414; 578H0RMP25; Dirlotapide [USAN:INN]; CP 742033; Dirlotapide (USAN/INN); Slentrol [veterinary] (TN); SCHEMBL37781; TUOSYWCFRFNJBS-BHVANESWSA-N; HY-U00070; BDBM50204367; CS-6779; CP-742033; CP-742,033; D03867; N-((1S)-2-(Benzylmethylamino)-2-oxo-1-phenylethyl)-1-methyl-5-(((4'-(trifluoromethyl)biphenyl-2-yl)carbonyl)amino)-1H-indole-2-carboxamide; 1H-Indole-2-carboxamide, 1-methyl-N-((1S)-2-(methyl(phenylmethyl)amino)-2-oxo-1-phenylethyl)-5-(((4'-(trifluoromethyl

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)

674.7

Logarithm of the Partition Coefficient (xlogp)

7.7

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C40H33F3N4O3
IUPAC Name: N-[(1S)-2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]-1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxamide
Canonical SMILES: CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)N[C@@H](C5=CC=CC=C5)C(=O)N(C)CC6=CC=CC=C6
InChI: InChI=1S/C40H33F3N4O3/c1-46(25-26-11-5-3-6-12-26)39(50)36(28-13-7-4-8-14-28)45-38(49)35-24-29-23-31(21-22-34(29)47(35)2)44-37(48)33-16-10-9-15-32(33)27-17-19-30(20-18-27)40(41,42)43/h3-24,36H,25H2,1-2H3,(H,44,48)(H,45,49)/t36-/m0/s1
InChIKey: TUOSYWCFRFNJBS-BHVANESWSA-N

Cross-matching ID

PubChem CID: 9917862
CAS Number: 481658-94-0
DrugBank ID: DB11399
TTD ID: D0J0TP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Microsomal triglyceride transfer protein (MTTP)	TTUS1RD	MTP_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Microsomal triglyceride transfer protein (MTTP)	DTT	MTTP	9.76E-02	0.13	0.68

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	In vitro and in vivo profile of 5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid benzylmethyl carbamoylamide (dirlota... Bioorg Med Chem Lett. 2007 Apr 1;17(7):1996-9.