General
Preferred name
N-METHYLHISTAMINE
Synonyms
1-Methylhistamine dihydrochloride ()
2-(1-Methyl-1H-imidazol-4-yl)ethan-1-amine ()
N-[3H]methylhistamine ()
N-methylhistamine ()
N-[3H]methylhistamine ()
1-Methylhistamine (dihydrochloride) ()
1-Methylhistamine (hydrochloride) ()
N-METHYLHISTAMINE DIHYDROCHLORIDE ()
P&D ID
PD048482
CAS
6481-48-7
501-75-7
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Histamine metabolite that crosses the blood-brain barrier (LOPAC library)
Cell lines
0
Organisms
1
Compound Sets
8
Cayman Chemical Bioactives
19516
DrugMAP
DM0CI4L
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS101992
Guide to Pharmacology
1241
1242
LOPAC library
MedChem Express Bioactive Compound Library
HY-W053787
TargetMol Bioactive Compound Library
T8790
External IDs
42
Properties
(calculated by RDKit )
Molecular Weight
125.1
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.08
TPSA
43.84
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
5.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Metabolism
Target
Endogenous Metabolite
Human Endogenous Metabolite
Source data