General Information of the Compound
Compound ID
CP0202342
Compound Name
5-bromo-2-[3-[(4-phenylphenyl)methyl]imidazol-4-yl]-1H-indole
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Structure
Formula
C24H18BrN3
Molecular Weight
428.333
Canonical SMILES
Brc1ccc2[nH]c(cc2c1)-c1cncn1Cc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C24H18BrN3/c25-21-10-11-22-20(12-21)13-23(27-22)24-14-26-16-28(24)15-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-14,16,27H,15H2
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InChIKey
DTJYBOUDGQQXLH-UHFFFAOYSA-N
Physicochemical Property
logP
6.5092
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
33.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 145959475
ChEMBL ID
CHEMBL4162371
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 3090 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 34200 nM