General
Preferred name
DOXEPIN HYDROCHLORIDE
Synonyms
Novoxapin ()
Aponal ()
Toruan ()
Doxepin (Hydrochloride) ()
Doxepin HCl ()
P&D ID
PD002804
CAS
1229-29-4
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
Antidepressant; antipruritic
(LOPAC library)
DESCRIPTION
Highly potent H1 histamine receptor antagonist (Kd = 310 pM) and tricyclic antidepressant. Also binds to the H4 histamine receptor (pKi = 6.79).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
BOC Sciences Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
315.14
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
4.38
TPSA
12.47
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
7.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Uptake
Pathway
GPCR/G protein
Immunology/Inflammation
Metabolic Enzyme/Protease
Neuronal Signaling
Target
Cytochrome P450
Histamine Receptor
Source data
