General
Preferred name
Higenamine
Synonyms
1-(P-HYDROXYBENZYL)-6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLINE ()
Higenamine hydrochloride ()
norcoclaurine HCl ()
(+-)-Demethylcoclaurine hydrochloride ()
Demethylcoclaurine hydrochloride ()
Higenamine HCl ()
Higenamine?Hydrochloride ()
norcoclaurine HCl(+-)-Demethylcoclaurine hydrochloride ()
Higenamine (hydrochloride) ()
Norcoclaurine ()
Norcoclaurine (hydrochloride) ()
Demethyl-Coclaurine ()
Norcoclaurine HCl, (+-)-Demethylcoclaurine hydrochloride ()
Higenamine, Norcoclaurine ()
Dl-demethylcoclaurine ()
P&D ID
PD058767
CAS
11041-94-4
5843-65-2
Tags
drug candidate
natural product
available
Drug Status
investigational
Max Phase
Phase 1
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
8
ChEMBL Drugs
DrugBank
DrugMatrix
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
41
Properties
(calculated by RDKit )
Molecular Weight
271.12
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
2
cLogP
2.23
TPSA
72.72
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
GPCR/G protein
Neuronal Signaling
Protein Tyrosine Kinase/RTK
Target
??2-adrenergic receptor
¦Â2-adrenergic receptor
¦Á1-adrenergic receptor
Apoptosis
??-adrenoceptor,??1-adrenoceptor
MDM-2/p53
ROS Kinase
Adrenergic Receptor,Akt,Apoptosis related,PI3K
MOA
Adrenergic Receptor
Source data
