Compound Detail

CHEMBL124607

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CCC(C)CN1CCc2c(c([N+](=O)[O-])cc3nc(O)c(O)nc23)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL124607
Phase	Preclinical
Structure Type	MOL
InChI Key	BSQRVYOCSVWDTC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

332.4

MW (Da)

2.35

ALogP

HBA

HBD

112.6

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	5.89	5.89	1300.0	2
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	4.82	4.82	15000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate receptor ionotropic, AMPA	IC50	=	1300.0	nM	5.89	Binding affinity was determined against ionotropic glutamate receptor AMPA in ra...	7562904
Glutamate receptor ionotropic, AMPA	IC50	=	1300.0	nM	5.89	Binding affinity was determined against ionotropic glutamate receptor AMPA in ra...	7562904
Glutamate receptor ionotropic, kainate	IC50	=	15000.0	nM	4.82	Binding affinity for the ionotropic glutamate receptor kainate in rat brain syna...	7562904
Glutamate receptor ionotropic, kainate	IC50	=	15000.0	nM	4.82	Binding affinity for the ionotropic glutamate receptor kainate in rat brain syna...	7562904

PubMed	DOI	Target Context	# Activities
7562904	10.1021/jm00019a003	Glutamate receptor ionotropic, AMPA	2
7562904	10.1021/jm00019a003	Glutamate receptor ionotropic, kainate	2
7562904	10.1021/jm00019a003	Glutamate receptor ionotropic, NMDA 1	2

Data from ChEMBL 36 via Core Engine