Molecular Details
DICL_CP_0307301
- (1-hydroxypyrazol-4-yl)methanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307301
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
1.0535 -0.3633 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1670 0.1866 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0505 1.551...
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: 55000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
−60 mV mV
Temperature
20−22 °C
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 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