General
Preferred name
DOXEPIN
Synonyms
DOXEPIN HYDROCHLORIDE ()
Novoxapin ()
Aponal ()
Toruan ()
Doxepin (Hydrochloride) ()
Doxepin HCl ()
[11C]doxepin ()
E-DOXEPIN ()
Doxepin-d3 (hydrochloride) ()
P&D ID
PD013299
CAS
1229-29-4
1668-19-5
347840-07-7
Tags
natural product
drug
available
Drug indication
Depression
Drug Status
approved
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
Doxepin inhibits the sodium-dependent noradrenaline transporter SLC6A2.
(GtoPdb)
DESCRIPTION
Plase note that the image shown here does not specify the position of the carbon isotope.
(GtoPdb)
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
17
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugMAP
DrugMAP Approved Drugs
EU-OPENSCREEN Bioactive Compound Library
LOPAC library
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Molecular Weight
279.16
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
3.96
TPSA
12.47
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
7.0
QED
0.84
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Uptake
Therapeutic Class
Antidepressants
Pathway
GPCR/G protein
Immunology/Inflammation
Metabolic Enzyme/Protease
Neuronal Signaling
Target
Cytochrome P450
Histamine Receptor
Source data
