General
Preferred name
Homoveratrylamine
Synonyms
3,4-Dimethoxyphenethylamine ()
3,4-Dimethoxyphenethylamine (hydrochloride) ()
P&D ID
PD002977
CAS
635-85-8
120-20-7
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
Cayman Chemical Bioactives
Drug Repurposing Hub
Enamine BioReference Compounds
NIH Clinical Collections (NCC)
NPC Screening Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
181.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
1.21
TPSA
44.48
Fraction CSP3
0.4
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
monoamine oxidase inhibitor
Source data
