Molecular Details
DICL_CP_0308135
- N-(3-chlorophenyl)methanimidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308135
PubChem CID
Molecular Formula
C7H7ClN2 Molecular Weight
154.6 g/mol
Synonyms/Alias
[CHEMBL128071; N-(3-Chloro-phenyl)-formamidine; BDBM50053598]
InChI Key
ZTQKNOMMVDSKDZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClN2/c8-6-2-1-3-7(4-6)10-5-9/h1-5H,(H2,9,10)
IUPAC Name
N-(3-chlorophenyl)methanimidamide
CAS Number
156632-03-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 17 0 0 0 0 0 0 0 0999 V2000
-1.4242 1.3687 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1926 0.7993 0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0679 -0.550...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A/3B/3C/3D/3E
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 nM
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
Binding assay ([3H] GR-65630)
Test Species
NG-108-15 cell
Binding Information
Binding Site
extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
10
Rotatable Bonds
1
logP
1.9585
Complexity
43.7914
TPSA (Ų)
38.38
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
1