Compound Detail

CHEMBL4096239

Enter ChEMBL ID:

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

Cc1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4096239
Phase	Preclinical
Structure Type	MOL
InChI Key	OZJIFZZSQOBDCV-SANMLTNESA-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 7.57

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable G-protein coupled receptor 34 CHEMBL3562165	EC50	7.57	7.57	26.9	2
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	7.41	7.41	38.9	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Probable G-protein coupled receptor 34	EC50	=	27.0	nM	7.57	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	26.92	nM	7.57	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	38.9	nM	7.41	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	39.0	nM	7.41	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