Compound Detail

CHEMBL217826

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O=c1ccn(-c2cc3c(=O)n(O)c(=O)[nH]c3cc2Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL217826
Phase	Preclinical
Structure Type	MOL
InChI Key	FWTCNGYPWFXKSV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

305.7

MW (Da)

0.73

ALogP

HBA

HBD

97.1

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 5.46

Ki 2 meas. best 6.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	Ki	6.3	6.3	500.0	1
Glutamate receptor ionotropic, AMPA CHEMBL2096617	IC50	5.46	5.46	3500.0	1
Unchecked CHEMBL612545	IC50	5.39	5.39	4100.0	1
Glutamate NMDA receptor CHEMBL1907608	Ki	4.6	4.6	25000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	Ki	=	500.0	nM	6.3	Displacement of [3H]AMPA from AMPA receptor in rat cortical synaptic membrane	17004715
Glutamate receptor ionotropic, AMPA	IC50	=	3500.0	nM	5.46	Antagonist activity against AMPA receptor assessed as inhibition of SAMPA-induce...	17004715
Unchecked	IC50	=	4100.0	nM	5.39	Displacement of [3H]KA from high affinity KA receptor in rat cortical membrane	17004715
Glutamate NMDA receptor	Ki	=	25000.0	nM	4.6	Displacement of [3H]glycine from Gly/NMDA receptor in rat cortical synaptic memb...	17004715

PubMed	DOI	Target Context	# Activities
17004715	10.1021/jm0604880	Glutamate receptor ionotropic, AMPA	2
17004715	10.1021/jm0604880	Unchecked	2
17004715	10.1021/jm0604880	Glutamate NMDA receptor	1

Data from ChEMBL 36 via Core Engine