Molecular Details
DICL_CP_0316539
- N,1-bis(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316539
PubChem CID
Molecular Formula
C14H18N4 Molecular Weight
242.326 g/mol
Synonyms/Alias
[CHEMBL4796860; BDBM50553737]
InChI Key
GFWITVCRRGEWNL-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N4/c1-2-10(1)6-15-14-5-13-12(7-16-14)17-9-18(13)8-11-3-4-11/h5,7,9-11H,1-4,6,8H2,(H,1...
IUPAC Name
N,1-bis(cyclopropylmethyl)imidazo[4,5-c]pyridin-6-amine
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
36 39 0 0 0 0 0 0 0 0999 V2000
4.3464 -0.3004 1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4375 0.5792 0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9803 0.841...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2
Uniprot Accession Number
Function
Allosteric Modulator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >15000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay ([3H] Ro15-1788)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Benzodiazepine binding site
Disease Information
Related Disease
treatment of cognitive disorders
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
5
logP
2.6632
Complexity
71.4657
TPSA (Ų)
42.74
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4