Compound Detail

CHEMBL1628258

N-DESMETHYLVENLAFAXINE CHLORIDE

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CNCC(c1ccc(OC)cc1)C1(O)CCCCC1.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1628258
Name	N-DESMETHYLVENLAFAXINE CHLORIDE
Phase	Preclinical
Structure Type	MOL
InChI Key	HWPAFKGYJZARRM-UHFFFAOYSA-N
Parent Compound	CHEMBL1119
Active Moiety	CHEMBL1119

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

263.4

MW (Da)

2.69

ALogP

HBA

HBD

41.5

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Alpha-1A adrenergic receptor CHEMBL319	IC50	6.52	6.52	300.0	1
Sodium-dependent serotonin transporter CHEMBL313	IC50	5.8	5.8	1600.0	1
Norepinephrine transporter CHEMBL304	IC50	5.33	5.33	4700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Alpha-1A adrenergic receptor	IC50	=	300.0	nM	6.52	Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain	1976813
Sodium-dependent serotonin transporter	IC50	=	1600.0	nM	5.8	Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes	1976813
Norepinephrine transporter	IC50	=	4700.0	nM	5.33	Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosome...	1976813

PubMed	DOI	Target Context	# Activities
1976813	10.1021/jm00172a035	Alpha-1A adrenergic receptor	1
1976813	10.1021/jm00172a035	Norepinephrine transporter	1
1976813	10.1021/jm00172a035	Sodium-dependent serotonin transporter	1

Data from ChEMBL 36 via Core Engine