General
Preferred name
L-6-hydroxydopa
Synonyms
6-Hydroxy-DL-DOPA ()
6-Hydroxy-DOPA ()
P&D ID
PD015276
CAS
21373-30-8
Tags
available
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 Precursor of the catecholaminergic neurotoxin, 6-hydroxydopamine; converted to 6-hydroxydopamine by L-aromatic amino acid decarboxylase (LOPAC library)
DESCRIPTION 6-Hydroxy-DL-DOPA is an allosteric inhibitor of RAD52 that suppresses RAD52 binding to single strand DNA binding domains (IC50 = 1.1 μM). 6-Hydroxy-DL-DOPA inhibits proliferation of BRCA-deficient cancer cells in vitro. (BOC Sciences Bioactive Compounds)
Compound Sets
5
BOC Sciences Bioactive Compounds
CZ-OPENSCREEN Bioactive Library
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
MedChem Express Bioactive Compound Library
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
213.06
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
5
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.24
TPSA
124.01
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.35
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Custom attributes
(extracted from source data)
Pathway
Cell Cycle/DNA Damage
Target
DNA/RNA Synthesis
Source data