General
Preferred name
hDHODH-IN-1
Synonyms
N-(Biphenyl-4-yl)-2-cyano-3-hydroxybut-2-enamide ()
(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide ()
P&D ID
PD005181
CAS
1173715-42-8
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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 hDHODH-IN-1 is a human dihydroorotate dehydrogenase (hDHODH) inhibitor. hDHODH-IN-1 has anti-inflammatory effect[1].
PRICE 104
DESCRIPTION hDHODH-IN-1 is a human dihydroorotate dehydrogenase (hDHODH) inhibitor exhibiting anti-inflammatory properties. (TargetMol Bioactive Compound Library)
Compound Sets
4
DrugBank
DB07443
DrugMAP
DMSO7FW
MedChem Express Bioactive Compound Library
HY-135658
TargetMol Bioactive Compound Library
T11546
External IDs
11
Properties
(calculated by RDKit )
Molecular Weight
278.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
3.65
TPSA
73.12
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
DHODH
Dihydroorotate Dehydrogenase
DNA/RNA Synthesis
Pathway
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Metabolism
Source data