Compound Detail

CHEMBL50160

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C(O)CCc1c(C(=O)O)[nH]c2cccc(Cl)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL50160
Phase	Preclinical
Structure Type	MOL
InChI Key	SSLBZYLQLVRPAQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

267.7

MW (Da)

2.54

ALogP

HBA

HBD

90.4

PSA (Å²)

0.79

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.22

EC50 1 meas. best 4.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor CHEMBL1907608	IC50	5.22	4.89	6000.0	3
Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162	EC50	4.52	4.52	30000.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.22	4.22	60000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor	IC50	=	6000.0	nM	5.22	Activity against rat cortical and hippocampal membrane strychnine-insensitive N-...	2146391
Glutamate NMDA receptor	IC50	=	6000.0	nM	5.22	Ability to compete with [3H]glycine for strychnine-insensitive binding sites on ...	1534125
Uracil nucleotide/cysteinyl leukotriene receptor	EC50	=	30000.0	nM	4.52	Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as indu...	30048589
Glutamate NMDA receptor	IC50	=	59000.0	nM	4.23	Activity against rat cortical and hippocampal membrane N-methyl-D-aspartate glut...	2146391
NON-PROTEIN TARGET	IC50	=	60000.0	nM	4.22	Ability to compete with [3H]CCP for rat cortical and hippocampal membrane glutam...	1534125

PubMed	DOI	Target Context	# Activities
2146391	10.1021/jm00173a003	Glutamate NMDA receptor	3
1534125	10.1021/jm00088a014	Glutamate NMDA receptor	2
30048589	10.1021/acs.jmedchem.7b01768	Uracil nucleotide/cysteinyl leukotriene receptor	2
1534125	10.1021/jm00088a014	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine