Compound Detail

CHEMBL2113111

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CCc1cc(-c2ccc(F)c(Cl)c2)ccc1NC(=O)C[C@H](N)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2113111
Phase	Preclinical
Structure Type	MOL
InChI Key	FAAZYFWXJOLYDB-HNNXBMFYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

364.8

MW (Da)

3.45

ALogP

HBA

HBD

92.4

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Excitatory amino acid transporter 1 CHEMBL3085	IC50	6.7	6.7	200.0	1
Excitatory amino acid transporter 3 CHEMBL2721	IC50	6.52	6.52	300.0	1
Excitatory amino acid transporter 2 CHEMBL4973	IC50	6.22	6.22	600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Excitatory amino acid transporter 1	IC50	=	200.0	nM	6.7	Inhibitory concentration against glutamate uptake in HEK cells expressing human ...	16165356
Excitatory amino acid transporter 3	IC50	=	300.0	nM	6.52	Inhibitory concentration against glutamate uptake in HEK cells expressing human ...	16165356
Excitatory amino acid transporter 2	IC50	=	600.0	nM	6.22	Inhibitory concentration against glutamate uptake in HEK cells expressing human ...	16165356

PubMed	DOI	Target Context	# Activities
16165356	10.1016/j.bmcl.2005.08.003	Excitatory amino acid transporter 3	1
16165356	10.1016/j.bmcl.2005.08.003	Excitatory amino acid transporter 1	1
16165356	10.1016/j.bmcl.2005.08.003	Excitatory amino acid transporter 2	1

Data from ChEMBL 36 via Core Engine