Compound Detail

CHEMBL4090880

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N[C@@H](COP(=O)(O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(-c3ccccc3)cc2)c1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4090880
Phase	Preclinical
Structure Type	MOL
InChI Key	WOCCUVWHKQMVTQ-HKBQPEDESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

649.6

MW (Da)

6.14

ALogP

HBA

HBD

163.8

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	7.35	7.345	45.0	2
Probable G-protein coupled receptor 34 CHEMBL3562165	EC50	7.11	7.11	77.6	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Probable G-protein coupled receptor 34	EC50	=	45.0	nM	7.35	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	45.71	nM	7.34	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	78.0	nM	7.11	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	77.62	nM	7.11	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