Compound Detail

CHEMBL4084094

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Cc1ccccc1Oc1cccc(COc2ccccc2CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4084094
Phase	Preclinical
Structure Type	MOL
InChI Key	BLHLLFXSUUNFAX-VWLOTQADSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

587.6

MW (Da)

4.78

ALogP

HBA

HBD

163.8

PSA (Å²)

0.11

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable G-protein coupled receptor 34 CHEMBL3562165	EC50	6.75	6.745	180.0	2
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	6.19	6.19	645.6	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Probable G-protein coupled receptor 34	EC50	=	180.0	nM	6.75	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	181.97	nM	6.74	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	645.65	nM	6.19	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	650.0	nM	6.19	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213

PubMed	DOI	Target Context	# Activities
28715213	10.1021/acs.jmedchem.7b00693	Probable G-protein coupled receptor 34	8

Data from ChEMBL 36 via Core Engine