General
Preferred name
BREQUINAR
Synonyms
Bipenquinate ()
NSC 368390 ()
DUP785 ()
Brequinar soldium salt hydrate ()
Brequinar (DUP785) ()
P&D ID
PD006843
CAS
96187-53-0
Tags
available
drug candidate
Drug indication
Acute myeloid leukaemia
Coronavirus Disease 2019 (COVID-19)
Acute myeloid leukemia
Drug Status
experimental
investigational
Max Phase
2.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Brequinar (DUP785) is a potent inhibitor of dihydroorotate dehydrogenase (DHODH) with an IC50 of 5.2 nM for human DHODH. Brequinar has potent activities against a broad spectrum of viruses. Brequinar also has an anti-SARS2 activity.
PRICE
82
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 an inhibitor of dihydroorotate dehydrogenase. Brequinar has potent activities against a broad spectrum of viruses.
(Enamine Bioactive Compounds)
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)
DESCRIPTION
Brequinar (NSC-368390) is a potent inhibitor of dihydroorotate dehydrogenase, with potent activities against a broad spectrum of viruses.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
70
Organisms
9
Compound Sets
19
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
DrugMatrix
Enamine Bioactive Compounds
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
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
Related compounds
Custom attributes
(extracted from source data)
Target
Dihydroorotate Dehydrogenase
DNA/RNA Synthesis
Virus Protease
DHODH
Dehydrogenase
SARS-CoV
Member status
member
MOA
Dihydroorotate Dehydrogenase (DHODH) Inhibitors
dihydroorotate dehydrogenase inhibitor
Pathway
Anti-infection
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Metabolism
Microbiology/virology
Solubility
Soluble in DMF, DMSO, Ethanol
Source data
