Details of the Drug

General Information of Drug (ID: DM4XVLB)

Drug Name
RGS4 inhibitor 13
Synonyms CHEMBL2037369; RGS4 inhibitor 13; GTPL8034; SCHEMBL13517588; BDBM50384771
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 204.25
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C7H12N2O3S
IUPAC Name
2-ethyl-4-(2-methoxyethyl)-1,2,4-thiadiazolidine-3,5-dione
Canonical SMILES
CCN1C(=O)N(C(=O)S1)CCOC
InChI
InChI=1S/C7H12N2O3S/c1-3-9-6(10)8(4-5-12-2)7(11)13-9/h3-5H2,1-2H3
InChIKey
NCTIMJFWDQCLDW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
57330144
TTD ID
D0M5DR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Regulator of G-protein signaling 4 (RGS4) TTGTKX9 RGS4_HUMAN Inhibitor [2]
Regulator of G-protein signaling 8 (RGS8) TTWME23 RGS8_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8034).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2811).
3 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2813).