Compound Detail

CHEMBL308699

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CC(Cc1nnn[nH]1)[C@H]1CC[C@H]2CN[C@H](C(=O)O)C[C@H]2C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL308699
Phase	Preclinical
Structure Type	MOL
InChI Key	NBTRGAQBARHCIC-YNNRYLGISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

293.4

MW (Da)

0.86

ALogP

HBA

HBD

103.8

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	5.52	5.37	3000.0	2
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	4.46	4.35	35000.0	2
Glutamate NMDA receptor CHEMBL1907608	IC50	4.27	4.27	53200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	3000.0	nM	5.52	Binding affinity at Ionotropic glutamate receptor AMPA in rat cortical tissue by...	8667365
Glutamate receptor ionotropic, AMPA	IC50	=	6000.0	nM	5.22	Compound was tested for AMPA receptor antagonistic activity by measuring its abi...	8667365
Glutamate receptor ionotropic, kainate	IC50	=	35000.0	nM	4.46	Binding affinity at Ionotropic glutamate receptor kainate in rat cortical tissue...	8667365
Glutamate NMDA receptor	IC50	=	53200.0	nM	4.27	Binding affinity at N-methyl-D-aspartate glutamate receptor in rat cortical tiss...	8667365
Glutamate receptor ionotropic, kainate	IC50	=	58000.0	nM	4.24	Ionotropic glutamate receptor kainate antagonism by measuring inhibition of 10 u...	8667365

PubMed	DOI	Target Context	# Activities
8667365	10.1021/jm950912p	Glutamate NMDA receptor	2
8667365	10.1021/jm950912p	Glutamate receptor ionotropic, AMPA	2
8667365	10.1021/jm950912p	Glutamate receptor ionotropic, kainate	2

Data from ChEMBL 36 via Core Engine