Compound Detail

CHEMBL4759998

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C[C@H](COC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)OP(=O)(O)OC[C@H](N)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4759998
Phase	Preclinical
Structure Type	MOL
InChI Key	IHGAJIYKOBUMEJ-NLFFAJNJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

573.5

MW (Da)

4.47

ALogP

HBA

HBD

163.8

PSA (Å²)

0.16

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 8.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	8.05	8.04	9.0	2
Putative P2Y purinoceptor 10 CHEMBL3562168	EC50	6.54	6.535	290.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Probable G-protein coupled receptor 34	EC50	=	9.0	nM	8.05	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	32787112
Probable G-protein coupled receptor 34	EC50	=	9.333	nM	8.03	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	32787112
Putative P2Y purinoceptor 10	EC50	=	290.0	nM	6.54	Agonist activity at mouse P2Y10 expressed in HEK293 cells co-transfected with AP...	32787112
Putative P2Y purinoceptor 10	EC50	=	295.12	nM	6.53	Agonist activity at mouse P2Y10 expressed in HEK293 cells co-transfected with AP...	32787112

PubMed	DOI	Target Context	# Activities
32787112	10.1021/acs.jmedchem.0c01126	Probable G-protein coupled receptor 34	4
32787112	10.1021/acs.jmedchem.0c01126	Putative P2Y purinoceptor 10	4

Data from ChEMBL 36 via Core Engine