General
Preferred name
VENLAFAXINE HYDROCHLORIDE
Synonyms
Wy 45030 hydrochloride ()
Venlafaxine HCl ()
WY-45030 ()
Venlafaxine (hydrochloride) ()
Wy 453 HCl ()
NSC-745751 ()
WY-45,030 ()
Effexor Xr ()
Effexor ()
Venlafaxine (as hydrochloride) ()
Venlafaxine (hydrochloride) (CRM) ()
P&D ID
PD001250
CAS
99300-78-4
93413-69-5
Tags
natural product
drug
available
Drug Status
approved
Max Phase
Phase 4
Drug indication
Antidepressant
First approval
1993
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Dual serotonin and norepinephrine reuptake inhibitor. Antidepressant. (LOPAC library)
DESCRIPTION Dual serotonin/noradrenalin re-uptake inhibitor (Tocriscreen Plus)
DESCRIPTION Equilibrative nucleoside transporter 1 (ENT1) inhibitor (Tocris Bioactive Compound Library)
Compound Sets
16
Axon Medchem Screening Library
1727
Cayman Chemical Bioactives
25524
11567
ChEMBL Approved Drugs
CHEMBL1201066
ChEMBL Drugs
CHEMBL1201066
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100379
Ki Database
WY-45030
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1201066
MedChem Express Bioactive Compound Library
HY-B0196A
NIH Clinical Collections (NCC)
Selleckchem Bioactive Compound Library
Venlafaxine-hydrochloride
TargetMol Bioactive Compound Library
T0472
The Spectrum Collection
Tocris Bioactive Compound Library
2917
Tocriscreen Plus
2917
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
313.18
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
3.46
TPSA
32.7
Fraction CSP3
0.65
Chiral centers
1.0
Largest ring
6.0
QED
0.9
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Transporters
Selectivity
5-HT and NE
Pathway
GPCR/G protein
Neuroscience
Neuronal Signaling
Target
5-HT
SNRI
Serotonin Transporter
Primary Target
5-HT Transporters
MOA
Inhibitor
Source data