Details of the Drug

General Information of Drug (ID: DM3MVSD)

Drug Name
5-Methylsulfanyl-thiophene-2-carboxamidine
Synonyms CHEMBL28890; 5-Methylsulfanyl-thiophene-2-carboxamidine; 2-Thiophenecarboximidamide, 5-(methylthio)-; SCHEMBL5982145; AXSQTCBARFBKPH-UHFFFAOYSA-N; BDBM50099912; 5-methylthiothiophene-2-carboxamidine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 172.3
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H8N2S2
IUPAC Name
5-methylsulfanylthiophene-2-carboximidamide
Canonical SMILES
CSC1=CC=C(S1)C(=N)N
InChI
InChI=1S/C6H8N2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H3,7,8)
InChIKey
AXSQTCBARFBKPH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10313318
TTD ID
D02XJW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Urokinase-type plasminogen activator (PLAU) TTGY7WI UROK_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Urokinase-type plasminogen activator (PLAU) DTT PLAU 5.32E-70 1.07 1.82
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design and synthesis of 4,5-disubstituted-thiophene-2-amidines as potent urokinase inhibitors. Bioorg Med Chem Lett. 2002 Feb 11;12(3):491-5.