Compound Detail

CHEMBL32076

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Oc1nc2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccsc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL32076
Phase	Preclinical
Structure Type	MOL
InChI Key	ASDUOZQLLPOESZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

369.8

MW (Da)

5.82

ALogP

HBA

HBD

62.6

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor CHEMBL1907608	IC50	8.85	8.85	1.4	2
Glutamate receptor ionotropic, NMDA 1 CHEMBL330	IC50	8.85	8.85	1.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, NMDA 1	IC50	=	1.4	nM	8.85	Inhibition of the binding of [3H]L-689,560 ([3H]-4) to the strychnine-insensitiv...	8182696
Glutamate NMDA receptor	IC50	=	1.4	nM	8.85	Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece...	9406596
Glutamate NMDA receptor	IC50	=	1.4	nM	8.85	In vitro inhibition of [3H]glycine at NMDA receptor	7990104

PubMed	DOI	Target Context	# Activities
8182696	10.1021/jm00036a002	Mus musculus	2
9406596	10.1021/jm970417o	Glutamate NMDA receptor	2
7990104	10.1021/jm00050a001	Glutamate NMDA receptor	2
7990104	10.1021/jm00050a001	Mus musculus	2
8182696	10.1021/jm00036a002	Glutamate receptor ionotropic, NMDA 1	1
8182696	10.1021/jm00036a002	Rattus norvegicus	1
9406596	10.1021/jm970417o	Albumin	1
9406596	10.1021/jm970417o	Mus musculus	1
9406596	10.1021/jm970417o	No relevant target	1

Data from ChEMBL 36 via Core Engine