General
Preferred name
Farudodstat
Synonyms
ASLAN003 ()
2-({3,5-difluoro-3'-methoxy-[1,1'-biphenyl]-4-yl}amino)pyridine-3-carboxylic acid ()
LAS 186323,ASLAN003 ()
ASLAN-003 ()
P&D ID
PD126100
CAS
1035688-66-4
Tags
available
drug candidate
Drug Status
investigational
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 Farudodstat (ASLAN003; ASLAN Pharmaceuticals) is an orally bioactive inhibitor of dihydroorotate dehydrogenase (DHODH) . It was developed for antineoplastic activity in acute myeloid leukemia. (GtoPdb)
DESCRIPTION Farudodstat is an orally active and potent inhibitor of DHODH (human dihydroorotate dehydrogenase). It inhibits the proliferation of MOLM-14 and KG-1 acute myeloid leukemia (AML) cells (IC50s = 0.582 and 0.382 µM, respectively), as well as induces apoptosis in the same cells when used at concentrations of 0.5 and 1 µM. (BOC Sciences Bioactive Compounds)
Cell lines
10
Organisms
0
Compound Sets
9
BOC Sciences Bioactive Compounds
farudodstat-cas-1035688-66-4-372985
Cayman Chemical Bioactives
33516
ChEMBL Drugs
CHEMBL2263632
DrugBank
DB16049
Guide to Pharmacology
12106
MedChem Express Bioactive Compound Library
HY-129239
ReFrame library
Selleckchem Bioactive Compound Library
aslan003
TargetMol Bioactive Compound Library
T10384
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
356.1
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
4.48
TPSA
71.45
Fraction CSP3
0.05
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Apoptosis
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Target
DHODH
Dihydroorotate Dehydrogenase
DNA/RNA Synthesis
AP-1,Apoptosis related,Dehydrogenase
Solubility
Soluble in DMF (30 mg/ml), DMSO (30 mg/ml)
Source data