Compound Detail

CHEMBL4516765

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4516765
Phase	Preclinical
Structure Type	MOL
InChI Key	FONGTJKKNAMZRQ-MBOCNQOASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

416.7

MW (Da)

6.75

ALogP

HBA

HBD

40.5

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603	EC50	7.89	7.89	13.0	1
Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604	EC50	7.48	7.48	33.0	1

Parameter	Value	Units	Species
CL	51.67	mL.min-1.kg-1	Rattus norvegicus
F	15.0	%	Rattus norvegicus
T1/2	1.6	hr	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor; GRIN1/GRIN2B	EC50	=	13.0	nM	7.89	Positive allosteric modulation of recombinant human GluN1/GluN2B receptor stably...	31390523
Glutamate NMDA receptor; GRIN1/GRIN2A	EC50	=	33.0	nM	7.48	Positive allosteric modulation of recombinant human GluN1/GluN2A receptor stably...	31390523

PubMed	DOI	Target Context	# Activities
31390523	10.1021/acs.jmedchem.9b00591	ADMET	7
31390523	10.1021/acs.jmedchem.9b00591	Glutamate NMDA receptor; GRIN1/GRIN2B	3
31390523	10.1021/acs.jmedchem.9b00591	Glutamate NMDA receptor; GRIN1/GRIN2A	3

Data from ChEMBL 36 via Core Engine