General
Preferred name
(hydroxymethylphenyl)agomelatine
Synonyms
N-[2-(3-(3-hydroxymethylphenyl)-7-methoxynaphth-1-yl)ethyl] acetamide ()
P&D ID
PD046427
Tags
drug candidate
Drug indication
Discovery agent
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
3
DrugMAP
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
349.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
3
cLogP
3.69
TPSA
58.56
Fraction CSP3
0.23
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
