General Information of the Compound
Compound ID
CP0039065
Compound Name
N-[(1S)-2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]-1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxamide
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Synonyms
1H-Indole-2-carboxamide, 1-methyl-N-((1S)-2-(methyl(phenylmethyl)amino)-2-oxo-1-phenylethyl)-5-(((4'-(trifluoromethyl
481658-94-0
578H0RMP25
BDBM50204367
CHEMBL410414
CP 742033
CP-742,033
CP-742033
CS-6779
D03867
DIRLOTAPIDE
Dirlotapide
Dirlotapide (USAN/INN)
Dirlotapide [USAN:INN]
HY-U00070
N-((1S)-2-(Benzylmethylamino)-2-oxo-1-phenylethyl)-1-methyl-5-(((4'-(trifluoromethyl)biphenyl-2-yl)carbonyl)amino)-1H-indole-2-carboxamide
SCHEMBL37781
Slentrol
Slentrol [veterinary] (TN)
TUOSYWCFRFNJBS-BHVANESWSA-N
UNII-578H0RMP25
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Structure
Formula
C40H33F3N4O3
Molecular Weight
674.723
Canonical SMILES
CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(cc3)C(F)(F)F)ccc2n1C)c1ccccc1
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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
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InChIKey
TUOSYWCFRFNJBS-BHVANESWSA-N
CAS
481658-94-0
Physicochemical Property
logP
8.2461
Rotatable Bonds
9
Heavy Atom Count
50
Polar Areas
83.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
50

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9917862
SID: 16897657
ChEMBL ID
CHEMBL410414
DrugBank ID
DB11399
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02750, Microsomal triglyceride transfer protein large subunit
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( DIRLOTAPIDE )
Drug Name DIRLOTAPIDE
Target(s)
Microsomal triglyceride transfer protein (MTTP)
 Target Info 
Inhibitor