Compound Detail

CHEMBL17703

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Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL17703
Phase	Preclinical
Structure Type	MOL
InChI Key	JGYVZUCCBOVDJE-MJGOQNOKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

359.4

MW (Da)

2.31

ALogP

HBA

HBD

73.2

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rattus norvegicus CHEMBL376	IC50	8.4	8.35	4.0	2
Unchecked CHEMBL612545	IC50	7.75	7.65	18.0	2
Glutamate receptor ionotropic, NMDA 2B CHEMBL311	IC50	6.69	6.69	206.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	IC50	=	4.0	nM	8.4	Compound was tested for neuroprotection against NMDA-Induced toxicity in culture...	9544217
Rattus norvegicus	IC50	=	5.0	nM	8.3	Compound was tested for neuroprotection against NMDA-Induced toxicity in culture...	9544217
Unchecked	IC50	=	18.0	nM	7.75	Displacement of racemic [3H]CP-101606 from rat forebrain membrane N-methyl-D-asp...	9544217
Unchecked	IC50	=	28.0	nM	7.55	Displacement of racemic [3H]CP-101606 from rat forebrain membrane N-methyl-D-asp...	9544217
Glutamate receptor ionotropic, NMDA 2B	IC50	=	206.0	nM	6.69	Compound was evaluated for its blocking effect against N-methyl-D-aspartate glut...	9544217

PubMed	DOI	Target Context	# Activities
9544217	10.1021/jm9707986	Rattus norvegicus	6
9544217	10.1021/jm9707986	Unchecked	5
9544217	10.1021/jm9707986	Mus musculus	1
9544217	10.1021/jm9707986	Glutamate receptor ionotropic, NMDA 2B	1

Data from ChEMBL 36 via Core Engine