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
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Histidine ammonia-lyase and decarboxylase inhibitor
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
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
[[ a.name ]]
[[ ligand_id ]]
free of charge
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