General
Preferred name
BREQUINAR
Synonyms
DUP785 ()
NSC 368390 ()
Bipenquinate ()
Brequinar soldium salt hydrate ()
Brequinar (DUP785) ()
P&D ID
PD006843
CAS
96187-53-0
Tags
available
drug candidate
Drug indication
Coronavirus Disease 2019 (COVID-19)
Acute myeloid leukaemia
Antineoplastic
Drug Status
investigational
experimental
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Brequinar inhibits dihydroorotate dehydrogenase (DHODH), the fourth enzyme in the de novo pyrimidine biosynthesis pathway , and it depletes cells of the precursors that are critical for RNA and DNA synthesis . It was developed for potential anti-neoplastic activity. The drug exhibits anti-neoplastic activity against refractory solid tumours in preclinical models, with continuous treatment being necessary to effectively deplete pyrimidine pools in the cancer cells and cause tumour inhibition . (GtoPdb)
DESCRIPTION Brequinar is a synthetic quinolinecarboxylic acid analogue with antineoplastic properties. Brequinar inhibits the enzyme dihydroorotate dehydrogenase, thereby blocking de novo pyrimidine biosynthesis. This agent may also enhance the in vivo antitumor effect of antineoplastic agents such as 5-FU. Check for active clinical trials or closed clinical trials using this agent. (BOC Sciences Bioactive Compounds)
Cell lines
69
Organisms
8
Compound Sets
18
AdooQ Bioactive Compound Library
A12442
BOC Sciences Bioactive Compounds
brequinar-cas-96187-53-0-item-84-157574
Cayman Chemical Bioactives
24445
ChEMBL Drugs
CHEMBL38434
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB03523
DrugMAP
DMKGM42
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS102002
Guide to Pharmacology
7406
Mcule NIBR MoA Box Subset
MCULE-7590091357
MedChem Express Bioactive Compound Library
HY-108325
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
brequinar
TargetMol Bioactive Compound Library
T5013
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
375.11
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
4
cLogP
5.85
TPSA
50.19
Fraction CSP3
0.04
Chiral centers
0.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Anti-infection
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Target
Dihydroorotate Dehydrogenase
DHODH
DNA/RNA Synthesis
SARS-CoV
Virus Protease
Dehydrogenase
Member status
member
MOA
Dihydroorotate Dehydrogenase (DHODH) Inhibitors
dihydroorotate dehydrogenase inhibitor
Solubility
Soluble in DMF, DMSO, Ethanol
Source data