Details of the Drug

General Information of Drug (ID: DMO10FD)

Drug Name
1-(Propan-2-ylidene)thiosemicarbazide
Synonyms
Acetone thiosemicarbazone; 1752-30-3; Thiosemicarbazone acetone; ACETONE THIOSEMICARBAZIDE; Acetone, thiosemicarbazone; Hydrazinecarbothioamide, 2-(1-methylethylidene)-; Acetonthiosemikarbazon; Acetonethiosemicarbazone; 2-(1-Methylethylidene)hydrazinecarbothioamide; NSC 711; Acetonthiosemikarbazon [Czech]; UNII-C3U604L47F; HSDB 6422; EINECS 217-137-9; (isopropylideneamino)thiourea; AI3-22961; CHEMBL500557; (propan-2-ylideneamino)thiourea; C3U604L47F; 2-(propan-2-ylidene)hydrazinecarbothioamide; WLN: SUYZMNUY1& AC1MCI32
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) 131.2
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H9N3S
IUPAC Name
(propan-2-ylideneamino)thiourea
Canonical SMILES
CC(=NNC(=S)N)C
InChI
InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey
FQUDPIIGGVBZEQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2770166
CAS Number
1752-30-3
TTD ID
D0X3SO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosinase (TYR) TTULVH8 TYRO_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
Tyrosinase (TYR) DTT TYR 6.68E-04 2.54 1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A class of potent tyrosinase inhibitors: alkylidenethiosemicarbazide compounds. Eur J Med Chem. 2009 Apr;44(4):1773-8.