Compound Detail

CHEMBL4089962

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CC(C)(C)c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4089962
Phase	Preclinical
Structure Type	MOL
InChI Key	HGYBEZUXJPBXOR-NDEPHWFRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

629.6

MW (Da)

5.77

ALogP

HBA

HBD

163.8

PSA (Å²)

0.09

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.53

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable G-protein coupled receptor 34 CHEMBL3562165	EC50	6.53	6.525	295.1	2
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	6.05	6.045	900.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Probable G-protein coupled receptor 34	EC50	=	295.12	nM	6.53	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	300.0	nM	6.52	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	900.0	nM	6.05	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	912.01	nM	6.04	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