RGS4 inhibitor 11b   Click here for help

GtoPdb Ligand ID: 8033

Synonyms: thiadiazolidinone (TDZD) deriv. 6
Compound class: Synthetic organic
Comment: This compound is a potent small molecule inhibitor of regulator of G-protein signaling protein 4 (RGS4) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 72.24
Molecular weight 202.08
XLogP 1.3
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCn1c(=O)sn(c1=O)CC
Isomeric SMILES CCCCn1c(=O)sn(c1=O)CC
InChI InChI=1S/C8H14N2O2S/c1-3-5-6-9-7(11)10(4-2)13-8(9)12/h3-6H2,1-2H3
InChI Key WTFFYZGCISALRI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-butyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
Synonyms Click here for help
thiadiazolidinone (TDZD) deriv. 6
Database Links Click here for help
CAS Registry No. 410074-60-1
ChEMBL Ligand CHEMBL24773
GtoPdb PubChem SID 249565713
PubChem CID 6539137
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UniChem Connectivity Search for chemical match using the InChIKey WTFFYZGCISALRI-UHFFFAOYSA-N