General
Preferred name
H-Tyr(3-I)-OH
Synonyms
3-Iodo-L-tyrosine ()
3-iodotyrosine ()
IOTYROSINE ()
IOTYROSINE I 131 ()
3-Iodo-Tyrosine ()
Iotyrosine i-131 ()
Iotyrosine (131i) ()
3-IODOTYROSINE I-131 ()
L-tyrosine, 3-(iodo-(sup 131)i)- ()
3-iodo-(sup 131)i-l-tyrosine ()
P&D ID
PD002697
CAS
2751-18-0
16624-40-1
70-78-0
Tags
available
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)
PRICE 29
DESCRIPTION Tyrosine hydroxylase inhibitor (LOPAC library)
DESCRIPTION 3-Iodotyrosine is an inhibitor of tyrosine 3-monooxygenase, IC50=1.4 nM. (Enamine Bioactive Compounds)
DESCRIPTION H-Tyr(3-I)-OH (3-Iodo-L-tyrosine) is an inhibitor of tyrosine hydroxylase (Ki = 0.39 M) and an intermediate in the synthesis of thyroid hormones (TargetMol Bioactive Compound Library)
Compound Sets
10
Cayman Chemical Bioactives
DrugBank
DrugMAP
Enamine Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
47
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
Target
Endogenous Metabolite
Human Endogenous Metabolite
hydroxylase
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data