General Information of the Compound
Compound ID
CP0418938
Compound Name
6-Chloro-2,3-dihydro-indole-1-carboxylic acid pyridin-3-ylamide
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Synonyms
6-Chloro-1-(3-pyridylcarbamoyl)indoline
6-Chloro-2,3-dihydro-indole-1-carboxylic acid pyridin-3-ylamide
6-chloro-N-(pyridin-3-yl)indoline-1-carboxamide
BDBM50321876
CHEMBL38911
LOMPSBWQXLVHJX-UHFFFAOYSA-N
N-(3-Pyridinyl)-6-chloro-2,3-dihydro-1H-indole-1-carboxamide
SCHEMBL8526818
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Structure
Formula
C14H12ClN3O
Molecular Weight
273.723
Canonical SMILES
Clc1ccc2CCN(C(=O)Nc3cccnc3)c2c1
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InChI
InChI=1S/C14H12ClN3O/c15-11-4-3-10-5-7-18(13(10)8-11)14(19)17-12-2-1-6-16-9-12/h1-4,6,8-9H,5,7H2,(H,17,19)
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InChIKey
LOMPSBWQXLVHJX-UHFFFAOYSA-N
Physicochemical Property
logP
3.3296
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 10730997
SID: 15766867
ChEMBL ID
CHEMBL38911
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 794 nM
   TI
   LI
   LO
   TS
2
Ki = 794.33 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 50 nM
   TI
   LI
   LO
   TS
2
Ki = 50.12 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-chloro-N-(pyridin-3-yl)indoline-1-carboxamide )
Drug Name 6-chloro-N-(pyridin-3-yl)indoline-1-carboxamide
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor