General
Preferred name
Histidinol
Synonyms
L-Histidinol dihydrochloride ()
(2S)-2-amino-3-(1H-imidazol-4-yl)propan-1-ol dihydrochloride ()
L-Histidinol (dihydrochloride) ()
L-Histidinol (hydrochloride) ()
P&D ID
PD044792
CAS
4836-52-6
1596-64-1
Tags
natural product
drug candidate
available
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
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
Cayman Chemical Bioactives
DrugBank
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
63
Properties
(calculated by RDKit )
Molecular Weight
141.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.73
TPSA
74.93
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
5.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
MOA
Endogenous Metabolite
Source data
