General
Preferred name
H-Tyr(3-I)-OH
Synonyms
3-Iodo-L-tyrosine ()
3-Iodo-Tyrosine ()
3-iodotyrosine ()
IOTYROSINE ()
IOTYROSINE I 131 ()
3-iodo-(sup 131)i-l-tyrosine ()
L-tyrosine, 3-(iodo-(sup 131)i)- ()
Iotyrosine i-131 ()
Iotyrosine (131i) ()
P&D ID
PD002697
CAS
70-78-0
2751-18-0
16624-40-1
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Radioactive Agent
Drug Status
experimental
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
Tyrosine hydroxylase inhibitor
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
9
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
306.97
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
0.95
TPSA
83.55
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
Tyrosine hydroxylase
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
Endogenous Metabolite
hydroxylase
Source data