Compound Detail

CHEMBL3323088

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Cc1ccc2c(c1)CN(C)CC2c1ccc(F)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3323088
Phase	Preclinical
Structure Type	MOL
InChI Key	APTVKHQLUJFYAC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

255.3

MW (Da)

3.71

ALogP

HBA

HBD

3.2

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 8.12

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Sodium-dependent noradrenaline transporter CHEMBL222	Ki	8.12	8.12	7.6	1
Sodium-dependent dopamine transporter CHEMBL238	Ki	7.44	7.44	36.0	1
Sodium-dependent serotonin transporter CHEMBL228	Ki	6.64	6.64	230.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Sodium-dependent noradrenaline transporter	Ki	=	7.6	nM	8.12	Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1...	25050161
Sodium-dependent dopamine transporter	Ki	=	36.0	nM	7.44	Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1...	25050161
Sodium-dependent serotonin transporter	Ki	=	230.0	nM	6.64	Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after ...	25050161

PubMed	DOI	Target Context	# Activities
25050161	10.1021/ml500053b	Sodium-dependent noradrenaline transporter	1
25050161	10.1021/ml500053b	Sodium-dependent dopamine transporter	1
25050161	10.1021/ml500053b	Sodium-dependent serotonin transporter	1

Data from ChEMBL 36 via Core Engine