General
Preferred name
trans-Urocanic Acid
Synonyms
(E)-Urocanic acid ()
trans-UCA ()
4-Imidazoleacrylic acid ()
Urocanic acid ()
Urocanic-acid Hydrochloride ()
(Z)-Urocanic acid ()
cis-UCA ()
cis-urocanic acid, emulsion, BioCis ()
cis-urocanic acid ()
Imidazole-4-acrylic acid, (z)- ()
Urocanic acid, cis- ()
NSC-407934 ()
P&D ID
PD034250
CAS
104-98-3
7699-35-6
6159-48-4
3465-72-3
Tags
available
natural product
drug candidate
Drug Status
investigational
experimental
Max Phase
1.0
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 Histidine ammonia-lyase and decarboxylase inhibitor (LOPAC library)
Cell lines
0
Organisms
1
Compound Sets
9
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
Enamine BioReference Compounds
LOPAC library
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
67
Properties
(calculated by RDKit )
Molecular Weight
138.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.51
TPSA
65.98
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.58
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
Histidine ammonia-lyase/ decarboxylase
Phase
Phase 2
Target
HTR2A
Endogenous Metabolite
5-HT Receptor
MOA
serotonin receptor agonist
Pathway
Metabolic Enzyme/Protease
GPCR/G protein
Neuronal Signaling
Source data