Details of the Drug

General Information of Drug (ID: DMQBGH9)

Drug Name
Metazamide
Synonyms
METAZAMIDE; UNII-T3Y0F5VOB8; 14058-90-3; GPA-878; T3Y0F5VOB8; Metazamidum; 1-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1H-imidazol-2-one; Metazamide [INN]; Metazamid; GPA 878; AC1L1B4L; 3-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one; 1-(4-Methoxyphenyl)-5-methyl-4-imidazolin-2-on; ZINC472; SCHEMBL193544; CHEMBL2104723; DTXSID80161441; MolPort-027-352-367; AKOS017548002; 1-(p-Methoxyphenyl)-5-methyl-4-imidazolin-2-one; 4-Imidazolin-2-one, 1-(4-methoxyphenyl)-5-methyl-
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) 204.22
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C11H12N2O2
IUPAC Name
3-(4-methoxyphenyl)-4-methyl-1H-imidazol-2-one
Canonical SMILES
CC1=CNC(=O)N1C2=CC=C(C=C2)OC
InChI
InChI=1S/C11H12N2O2/c1-8-7-12-11(14)13(8)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3,(H,12,14)
InChIKey
NHUPEUMBGMETKD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
26433
CAS Number
14058-90-3
TTD ID
D0FF3D
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
Glucose-6-phosphate dehydrogenase (G6PD) TTKN8W0 G6PD_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
Glucose-6-phosphate dehydrogenase (G6PD) DTT G6PD 7.05E-07 2.13 4.86
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Glucose utilization and activity of glucose-6-phosphate dehydrogenase, isocitrate dehydrogenase and malate dehydrogenase in rat erythrocytes after treatment with tuberculostatic agents. Vopr Med Khim. 1986 Sep-Oct;32(5):32-5.