Details of the Drug

General Information of Drug (ID: DM9CF45)

Drug Name
thiadiazolidinone (TDZD) deriv. 6
Synonyms
Thiadiazolidinone (TDZD) deriv. 6; 4-butyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione; RGS4 inhibitor 11b; CCG 203769; AC1O6Z6H; CHEMBL24773; GTPL8033; BDBM7779; SCHEMBL13517142; HY-U00431; 410074-60-1; CS-0035365; 2-ethyl-4-butyl-1,2,4-thiadiazolidine-3,5-dione
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) 202.28
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H14N2O2S
IUPAC Name
4-butyl-2-ethyl-1,2,4-thiadiazolidine-3,5-dione
Canonical SMILES
CCCCN1C(=O)N(SC1=O)CC
InChI
InChI=1S/C8H14N2O2S/c1-3-5-6-9-7(11)10(4-2)13-8(9)12/h3-6H2,1-2H3
InChIKey
WTFFYZGCISALRI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6539137
ChEBI ID
CHEMBL24773
TTD ID
D05AMQ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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: 8033).
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).