General Information of the Compound
Compound ID
CP0021116
Compound Name
(5-fluoro-1H-indol-2-yl)-(1H-indol-2-yl)methanone
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Synonyms
(5-fluoro-1H-indol-2-yl)-(1H-indol-2-yl)methanone
CHEMBL209042
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Structure
Formula
C17H11FN2O
Molecular Weight
278.286
Canonical SMILES
Fc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
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InChI
InChI=1S/C17H11FN2O/c18-12-5-6-14-11(7-12)9-16(20-14)17(21)15-8-10-3-1-2-4-13(10)19-15/h1-9,19-20H
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InChIKey
HXWDONFZGUZRTN-UHFFFAOYSA-N
Physicochemical Property
logP
4.0193
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
48.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
21

"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: 11500099
SID: 16602015
ChEMBL ID
CHEMBL209042
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000075 EoL-1 Homo sapiens (Human)  1
1
IC50 = 2300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (5-fluoro-1H-indol-2-yl)-(1H-indol-2-yl)methanone )
Drug Name (5-fluoro-1H-indol-2-yl)-(1H-indol-2-yl)methanone
Target(s)
Fms-like tyrosine kinase 3 (FLT-3)
Inhibitor
Platelet-derived growth factor receptor beta (PDGFRB)
Inhibitor
Platelet-derived growth factor receptor alpha (PDGFRA)
Inhibitor