General Information of the Compound
Compound ID
CP0535532
Compound Name
cyclohexyl-[4-(2-methyl-3-phenylimidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methanone
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Synonyms
Benzimidazole derivative 10
PMID26936077-Compound-27
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Structure
Formula
C26H30N4O2
Molecular Weight
430.552
Canonical SMILES
Cc1nc2ccc(cn2c1-c1ccccc1)C(=O)N1CCN(CC1)C(=O)C1CCCCC1
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InChI
InChI=1S/C26H30N4O2/c1-19-24(20-8-4-2-5-9-20)30-18-22(12-13-23(30)27-19)26(32)29-16-14-28(15-17-29)25(31)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,18,21H,3,6-7,10-11,14-17H2,1H3
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InChIKey
BQTLJTZGAMQFGS-UHFFFAOYSA-N
Physicochemical Property
logP
4.17442
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
57.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 56848369
SID: 135380078
ChEMBL ID
CHEMBL2431715
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: PT04124, Proteinase-activated receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000591 HCT 15 Homo sapiens (Human)  1
1
IC50 = 77000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Benzimidazole derivative 10 )
Drug Name Benzimidazole derivative 10
Company NEOPHARM CO.,LTD. ( ) GWAK, Hyung Sub KIM, Yong Zu KIM, Uk Il PARK, Byeong Deog PARK, Tae Kyo WOO, Sung Ho
Target(s)
Proteinase activated receptor 2 (PAR2)
Antagonist