General Information of the Compound
Compound ID
CP0316371
Compound Name
5-Chloro-3-ethyl-1-(4-fluoro-phenyl)-1H-indole
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Synonyms
181116-12-1
1H-Indole, 5-chloro-3-ethyl-1-(4-fluorophenyl)-
5-Chloro-3-ethyl-1-(4-fluoro-phenyl)-1H-indole
5-Chloro-3-ethyl-1-(4-fluorophenyl)-1H-indole
AKOS030619591
BDBM50127987
CHEMBL300907
CTK0A6482
DTXSID30658199
ZINC13489982
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Structure
Formula
C16H13ClFN
Molecular Weight
273.738
Canonical SMILES
CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
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InChI
InChI=1S/C16H13ClFN/c1-2-11-10-19(14-6-4-13(18)5-7-14)16-8-3-12(17)9-15(11)16/h3-10H,2H2,1H3
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InChIKey
APVXBLPJSJGGAJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.9854
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
4.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 44297094
ChEMBL ID
CHEMBL300907
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: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-Chloro-3-ethyl-1-(4-fluoro-phenyl)-1H-indole )
Drug Name 5-Chloro-3-ethyl-1-(4-fluoro-phenyl)-1H-indole
Target(s)
Voltage-gated potassium channel Kv11.1 (KCNH2)
 Target Info 
Inhibitor