General Information of the Compound
Compound ID
CP0505227
Compound Name
2-(4-chlorophenyl)-5-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)furo[3,2-c]pyridin-4-one
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Synonyms
PMID25522065-Compound-49
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Structure
Formula
C24H18ClN3O2
Molecular Weight
415.88
Canonical SMILES
Cc1c(nc2ccc(cn12)-n1ccc2oc(cc2c1=O)-c1ccc(Cl)cc1)C1CC1
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InChI
InChI=1S/C24H18ClN3O2/c1-14-23(16-2-3-16)26-22-9-8-18(13-28(14)22)27-11-10-20-19(24(27)29)12-21(30-20)15-4-6-17(25)7-5-15/h4-13,16H,2-3H2,1H3
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InChIKey
FBRSISPMXWGFQN-UHFFFAOYSA-N
Physicochemical Property
logP
5.73762
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
52.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 71816518
ChEMBL ID
CHEMBL3770706
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 6.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 42 nM
   TI
   LI
   LO
   TS
Protein ID: PT01388, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 11 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PMID25522065-Compound-49 )
Drug Name PMID25522065-Compound-49
Target(s)
Melanin-concentrating hormone receptor 1 (MCHR1)
Antagonist