Compound Detail

CHEMBL4095241

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CC(C)(C)c1cccc(-c2ccc(Oc3cccc(COc4ccccc4CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c3)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4095241
Phase	Preclinical
Structure Type	MOL
InChI Key	IEHHDCJODKNINL-UMSFTDKQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

705.7

MW (Da)

7.43

ALogP

HBA

HBD

163.8

PSA (Å²)

0.05

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	7.85	7.845	14.0	2
Probable G-protein coupled receptor 34 CHEMBL3562165	EC50	7.83	7.825	14.8	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Probable G-protein coupled receptor 34	EC50	=	14.0	nM	7.85	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	14.45	nM	7.84	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	14.79	nM	7.83	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	15.0	nM	7.82	Agonist activity at human 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