Details of the Drug

General Information of Drug (ID: DM3D0WA)

Drug Name
Amidox
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 168.15
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C7H8N2O3
IUPAC Name
N',3,4-trihydroxybenzenecarboximidamide
Canonical SMILES
C1=CC(=C(C=C1/C(=N/O)/N)O)O
InChI
InChI=1S/C7H8N2O3/c8-7(9-12)4-1-2-5(10)6(11)3-4/h1-3,10-12H,(H2,8,9)
InChIKey
JOAASNKBYBFGDN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135413522
CAS Number
95933-72-5
TTD ID
D06PWA
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ribonucleotide reductase (RIR) TTX09M4 RIR1_HUMAN ; RIR2_HUMAN ; RIR2B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Metabolism of the new ribonucleotide reductase inhibitor amidox in the isolated perfused rat liver. Anticancer Res. 2000 Sep- Oct;20(5B):3521-6.