General Information of the Compound
Compound ID
CP0396093
Compound Name
N-(1-adamantyl)-1-[hydroxy(pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-3-carboxamide
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Structure
Formula
C24H26N4O2
Molecular Weight
402.498
Canonical SMILES
OC(c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)n2ccccc12)c1cccnc1
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InChI
InChI=1S/C24H26N4O2/c29-21(18-4-3-6-25-14-18)20-19-5-1-2-7-28(19)22(26-20)23(30)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h1-7,14-17,21,29H,8-13H2,(H,27,30)
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InChIKey
INBYZTBXXIUGMV-UHFFFAOYSA-N
Physicochemical Property
logP
3.5096
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
79.52
Hydrogen Bond Donor Count
2
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: 69003787
ChEMBL ID
CHEMBL3114534
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3881 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4.5 nM
   TI
   LI
   LO
   TS