Compound Detail

CHEMBL4759297

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CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@@H]1COCC[C@H]1OP(=O)(O)OC[C@H](N)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4759297
Phase	Preclinical
Structure Type	MOL
InChI Key	FTEXYKVSENDFKC-SKBVVQJISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

587.6

MW (Da)

4.78

ALogP

HBA

HBD

163.8

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 8.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	8.54	8.54	2.9	2
Putative P2Y purinoceptor 10 CHEMBL3562168	EC50	7.58	7.58	26.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Probable G-protein coupled receptor 34	EC50	=	2.9	nM	8.54	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	32787112
Probable G-protein coupled receptor 34	EC50	=	2.884	nM	8.54	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	32787112
Putative P2Y purinoceptor 10	EC50	=	26.0	nM	7.58	Agonist activity at mouse P2Y10 expressed in HEK293 cells co-transfected with AP...	32787112
Putative P2Y purinoceptor 10	EC50	=	26.3	nM	7.58	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