Details of the Drug

General Information of Drug (ID: DMZIQ8G)

Drug Name
Prolarix
Synonyms Prolarix (TN)
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 2 [1]
Therapeutic Class
Anticancer Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 181.19
Topological Polar Surface Area (xlogp) -1.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H11N3O2
IUPAC Name
1-(2-amino-2-oxoethyl)-4H-pyridine-3-carboxamide
Canonical SMILES
C1C=CN(C=C1C(=O)N)CC(=O)N
InChI
InChI=1S/C8H11N3O2/c9-7(12)5-11-3-1-2-6(4-11)8(10)13/h1,3-4H,2,5H2,(H2,9,12)(H2,10,13)
InChIKey
WEJRSYKFMCUCRQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
403128
CAS Number
64881-21-6
TTD ID
D0C6VV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Quinone reductase 2 (NQO2) TTJLP0R NQO2_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00746590) Study of Anti-tumour Effects and Safety of Prolarix in Hepatocellular Carcinoma. U.S. National Institutes of Health.
2 CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
3 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
4 Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6.
5 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
6 Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84.
7 Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66.
8 In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.