General Information of the Compound
Compound ID
CP0022919
Compound Name
bis(1H-indol-2-yl)methanone
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Synonyms
200706-56-5
CHEMBL207483
CTK0J0872
DTXSID70436953
Di(1H-indol-2-yl)methanone
Di(1H-indole-2-yl) ketone
Methanone, di-1H-indol-2-yl-
SCHEMBL370573
ZINC24262
di(1H-indol-2-yl)methanone
indolyl ketone
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Structure
Formula
C17H12N2O
Molecular Weight
260.296
Canonical SMILES
O=C(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1
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InChI
InChI=1S/C17H12N2O/c20-17(15-9-11-5-1-3-7-13(11)18-15)16-10-12-6-2-4-8-14(12)19-16/h1-10,18-19H
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InChIKey
GQJIQKLWZMQQGO-UHFFFAOYSA-N
Physicochemical Property
logP
3.8802
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
48.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 10220822
SID: 15221511
ChEMBL ID
CHEMBL207483
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: PT01204, Receptor-type tyrosine-protein kinase FLT3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000075 EoL-1
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 4600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Di(1H-indol-2-yl)methanone )
Drug Name Di(1H-indol-2-yl)methanone
Target(s)
Platelet-derived growth factor receptor alpha (PDGFRA)
 Target Info 
Inhibitor
Fms-like tyrosine kinase 3 (FLT-3)
 Target Info 
Inhibitor
Platelet-derived growth factor receptor beta (PDGFRB)
 Target Info 
Inhibitor