Compound Detail

CHEMBL111651

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NC(Cc1c(O)noc1CBr)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL111651
Phase	Preclinical
Structure Type	MOL
InChI Key	GQCQTKNYEULAJY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

265.1

MW (Da)

0.23

ALogP

HBA

HBD

109.6

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 7.52

EC50 1 meas. best 4.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	7.52	7.52	30.0	1
Rattus norvegicus CHEMBL376	IC50	6.22	6.22	600.0	1
Rattus norvegicus CHEMBL376	EC50	4.89	4.89	13000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	30.0	nM	7.52	Tested in vitro for the concentration required to inhibit [3H]AMPA radioligand a...	7523673
Rattus norvegicus	IC50	=	600.0	nM	6.22	Inhibition of [3H]AMPA binding in rat brain membrane was evaluated	2859375
Rattus norvegicus	EC50	=	13000.0	nM	4.89	Effective concentration in vitro as electropharmacological activity in the rat c...	7523673

PubMed	DOI	Target Context	# Activities
7523673	10.1021/jm00046a009	Glutamate NMDA receptor	2
2859375	10.1021/jm50001a022	Rattus norvegicus	2
7523673	10.1021/jm00046a009	Glutamate receptor ionotropic, AMPA	1
7523673	10.1021/jm00046a009	Rattus norvegicus	1
2859375	10.1021/jm50001a022	Unchecked	1

Data from ChEMBL 36 via Core Engine