General
Preferred name
Nτ-Methyl-L-histidine
Synonyms
3-(1-Methylimidazol-4-yl)-L-alanine ()
N¦Ó-Methyl-L-histidine ()
1-Methyl-L-histidine ()
1-Methylhistidine ()
P&D ID
PD006927
CAS
332-80-9
Tags
available
drug candidate
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 33
DESCRIPTION 1-Methyl-L-histidine (3-(1-Methylimidazol-4-yl)-L-alanine) is a natural but non-proteinogenic amino acid; employed as index of muscle protein breakdown. (TargetMol Bioactive Compound Library)
Compound Sets
3
DrugBank
MedChem Express Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
169.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.63
TPSA
81.14
Fraction CSP3
0.43
Chiral centers
1.0
Largest ring
5.0
QED
0.63
QED
0.63
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Human Endogenous Metabolite
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data