Molecular Details
DICL_CP_0307303
- (1-hydroxypyrazol-4-yl)methanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307303
PubChem CID
Molecular Formula
C4H7N3O Molecular Weight
113.12 g/mol
Synonyms/Alias
[CHEMBL2315213; 4-(aminomethyl)-1-hydroxypyrazole; BDBM50425647]
InChI Key
SGFQVPARKZCZOT-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2
IUPAC Name
(1-hydroxypyrazol-4-yl)methanamine
CAS Number
877471-21-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
15 15 0 0 0 0 0 0 0 0999 V2000
0.9137 0.5324 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1904 -0.2925 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2441 -1.483...
Experimental Data
Activity Data
Target Ion Channel
Gamma-aminobutyric acid receptor subunit rho-1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 3100 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
tsA-201 Homo sapiens embryonic kidney cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
8
Rotatable Bonds
1
logP
-0.4209
Complexity
27.3029
TPSA (Ų)
64.07
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
1