Compound Detail

CHEMBL1818442

AMITIFADINE HYDROCHLORIDE

🧪 Phase II

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🧪 Phase II

Cl.Clc1ccc([C@]23CNC[C@H]2C3)cc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1818442
Name	AMITIFADINE HYDROCHLORIDE
Phase	Phase II
Structure Type	MOL
InChI Key	KAGBHVBIOJBGBD-NINOIYOQSA-N
Parent Compound	CHEMBL592374
Active Moiety	CHEMBL592374

Known Names

Amitifadine hydrochloride DOV 21947 DOV-21,947 HYDROCHLORIDE DOV-21947 HYDROCHLORIDE EB-1010 EB-1010 HYDROCHLORIDE

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

228.1

MW (Da)

2.85

ALogP

HBA

HBD

12.0

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

USAN Stem	-fadine
USAN Year	2011

Extended Properties

Molecular Formula	C11H12Cl3N
MW	264.58
Aromatic Rings	1
Heavy Atoms	14
NP-Likeness	0.49

Indications

Depressive Disorder, Major

Activity Summary

IC50 3 meas. best 7.15

Ki 3 meas. best 7.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium-dependent serotonin transporter CHEMBL228	Ki	7.8	7.8	15.8	1
Sodium-dependent noradrenaline transporter CHEMBL222	Ki	7.2	7.2	63.1	1
Sodium-dependent noradrenaline transporter CHEMBL222	IC50	7.15	7.15	71.0	1
Sodium-dependent dopamine transporter CHEMBL238	Ki	7.1	7.1	79.4	1
Sodium-dependent dopamine transporter CHEMBL238	IC50	6.8	6.8	159.0	1
Sodium-dependent serotonin transporter CHEMBL228	IC50	6.39	6.39	411.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium-dependent serotonin transporter	Ki	=	15.85	nM	7.8	Displacement of [3H]citalopram from human recombinant SERT scintillation proximi...	21550808
Sodium-dependent noradrenaline transporter	Ki	=	63.1	nM	7.2	Displacement of [3H]nisoxetine from human recombinant NET by scintillation proxi...	21550808
Sodium-dependent noradrenaline transporter	IC50	=	71.0	nM	7.15	Inhibition of [3H]noradrenaline uptake at human NET expressed in CHO cells after...	22608762
Sodium-dependent dopamine transporter	Ki	=	79.43	nM	7.1	Displacement of [3H]WIN-35428 from human recombinant DAT by scintillation proxim...	21550808
Sodium-dependent dopamine transporter	IC50	=	159.0	nM	6.8	Inhibition of [3H]dopamine uptake at human DAT expressed in CHO cells after 10 m...	22608762
Sodium-dependent serotonin transporter	IC50	=	411.0	nM	6.39	Inhibition of [3H]serotonin uptake at human SERT expressed in CHO cells after 10...	22608762

Literature References

PubMed	DOI	Target Context	# Activities
21550808	10.1016/j.bmc.2011.04.032	Sodium-dependent serotonin transporter	1
21550808	10.1016/j.bmc.2011.04.032	Sodium-dependent noradrenaline transporter	1
21550808	10.1016/j.bmc.2011.04.032	Sodium-dependent dopamine transporter	1
22608762	10.1016/j.ejmech.2012.04.030	Sodium-dependent dopamine transporter	1
22608762	10.1016/j.ejmech.2012.04.030	Sodium-dependent noradrenaline transporter	1
22608762	10.1016/j.ejmech.2012.04.030	Sodium-dependent serotonin transporter	1

Data from ChEMBL 36 via Core Engine