General
Preferred name
DOPAC
Synonyms
3,4-DIHYDROXYPHENYLACETIC ACID ()
3,4-Dihydroxybenzeneacetic acid ()
2-(3,4-Dihydroxyphenyl)Acetic Acid ()
3,4-DIHYDROXYPHENYLACETIC ACID ()
P&D ID
PD002747
CAS
102-32-9
Tags
available
covalent binder
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 Product of dopamine degradation by MAO and aldehyde dehydrogenase (LOPAC library)
Cell lines
0
Organisms
1
Compound Sets
7
Cayman Chemical Bioactives
24912
CovalentInDB
CI005251
DrugBank
DB01702
DrugMAP
DMSZ0H9
LOPAC library
MedChem Express Bioactive Compound Library
HY-W001080
TargetMol Bioactive Compound Library
T4907
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
168.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.72
TPSA
77.76
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
Drug Metabolite
MOA
Endogenous Metabolite
Source data