Compound Detail

CHEMBL420530

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Oc1ccc(CCNCCCCCCc2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL420530
Phase	Preclinical
Structure Type	MOL
InChI Key	GWYOLALPGDHNBU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

297.4

MW (Da)

4.33

ALogP

HBA

HBD

32.3

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.46

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666	IC50	7.46	7.46	35.0	1
Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680	IC50	4.77	4.77	17000.0	1
Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911	IC50	4.52	4.52	30000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor; Grin1/Grin2b	IC50	=	35.0	nM	7.46	Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/...	9719603
Glutamate NMDA receptor; Grin1/Grin2a	IC50	=	17000.0	nM	4.77	Functional antagonism by electrical assays in Xenopus oocytes expressing 1A/2A N...	9719603
Glutamate NMDA receptor; Grin1/Grin2c	IC50	=	30000.0	nM	4.52	Functional antagonism by electrical assays in Xenopus oocytes expressing the 1A/...	9719603

PubMed	DOI	Target Context	# Activities
9719603	10.1021/jm980235+	Glutamate NMDA receptor; Grin1/Grin2a	1
9719603	10.1021/jm980235+	Glutamate NMDA receptor; Grin1/Grin2b	1
9719603	10.1021/jm980235+	Glutamate NMDA receptor; Grin1/Grin2c	1

Data from ChEMBL 36 via Core Engine