Molecular Details
DICL_CP_0307717
- pyrrolidin-1-ylthiourea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307717
PubChem CID
Molecular Formula
C5H11N3S Molecular Weight
145.231 g/mol
Synonyms/Alias
[CHEMBL48338; Pyrrolidin-1-yl-thiourea; N-Pyrrolidin-1-ylthiourea; 88147-87-9; SCHEMBL5320211; DTXSID20658163; BDBM50224231]
InChI Key
LUZJFNYVKQEEGM-UHFFFAOYSA-N
InChI
InChI=1S/C5H11N3S/c6-5(9)7-8-3-1-2-4-8/h1-4H2,(H3,6,7,9)
IUPAC Name
pyrrolidin-1-ylthiourea
CAS Number
88147-87-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 20 0 0 0 0 0 0 0 0999 V2000
-2.0263 0.4493 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8817 0.0728 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4162 0.306...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 1/2/4
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: 3000 nM
EC50
N/A (Not available)
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
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Rattus norvegicus DRG neurons
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
9
Rotatable Bonds
1
logP
-0.1696
Complexity
40.7281
TPSA (Ų)
41.29
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
1