Compound Detail

CHEMBL307562

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O=C(O)[C@H]1C[C@@H]2C[C@@H](CSc3nn[nH]n3)CC[C@@H]2CN1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL307562
Phase	Preclinical
Structure Type	MOL
InChI Key	UHXCGVUOHJHFPY-QCLAVDOMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

297.4

MW (Da)

0.77

ALogP

HBA

HBD

103.8

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	5.05	4.9	9000.0	2
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	4.55	4.545	27900.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	9000.0	nM	5.05	Compound was tested for Ionotropic glutamate receptor AMPA antagonistic activity...	8667366
Glutamate receptor ionotropic, AMPA	IC50	=	17800.0	nM	4.75	Binding affinity against Ionotropic glutamate receptor AMPA using [3H]AMPA 19755...	8667366
Glutamate receptor ionotropic, kainate	IC50	=	27900.0	nM	4.55	Binding affinity against Ionotropic glutamate receptor kainate using [3H]-Kainic...	8667366
Glutamate receptor ionotropic, kainate	IC50	=	29100.0	nM	4.54	Compound was tested for Ionotropic glutamate receptor kainate antagonistic activ...	8667366

PubMed	DOI	Target Context	# Activities
8667366	10.1021/jm950913h	Glutamate NMDA receptor	2
8667366	10.1021/jm950913h	Glutamate receptor ionotropic, AMPA	2
8667366	10.1021/jm950913h	Glutamate receptor ionotropic, kainate	2

Data from ChEMBL 36 via Core Engine