General
Preferred name
HARMANE
Synonyms
HARMAN ()
Aribine ()
Loturine ()
Harman, Aribine, Aribin, Locuturine, Locuturin, Loturine, Passiflorin, 1-Methylnorharman, NSC 54439 ()
Harmane ()
Harmane HCl ()
HARMANE HYDROCHLORIDE ()
P&D ID
PD001546
CAS
486-84-0
21655-84-5
Tags
natural product
available
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()] ]]
Description
(extracted from source data)
DESCRIPTION
I1 imidazoline binding site agonist
(LOPAC library)
DESCRIPTION
Putative endogenous imidazoline ligand. Also MAO inhibitor
(Tocriscreen Total)
DESCRIPTION
Harmane is an endogenous ligand for imidazoline binding sites. It binds to I1-sites in rat kidney (IC50 = 31 nM) and I2-sites (Ki = 49 nM). Harmane also acts as a potent inhibitor of monoamine oxidase A and B (IC50 = 0.5 and 5 μM, respectively).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
4
Compound Sets
10
BOC Sciences Bioactive Compounds
Drug Repurposing Hub
LOPAC library
MedChem Express Bioactive Compound Library
Other bioactive compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Molecular Weight
182.08
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
3
cLogP
3.02
TPSA
28.68
Fraction CSP3
0.08
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Selectivity
I1
Target
MAOA, MAOB
Adrenergic Receptor
Imidazoline Receptor
Monoamine Oxidase
MAO
MOA
monoamine oxidase inhibitor
Pathway
GPCR/G protein
Neuronal Signaling
Source data
