Compound Detail

CHEMBL3577151

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CCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3577151
Phase	Preclinical
Structure Type	MOL
InChI Key	PQVATKARQXQHPW-SFHVURJKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

453.5

MW (Da)

4.17

ALogP

HBA

HBD

145.4

PSA (Å²)

0.13

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Putative P2Y purinoceptor 10 CHEMBL3562166	EC50	7.35	7.35	44.7	2
Probable G-protein coupled receptor 34 CHEMBL3562165	EC50	6.16	6.155	700.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Putative P2Y purinoceptor 10	EC50	=	45.0	nM	7.35	Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ...	25970039
Putative P2Y purinoceptor 10	EC50	=	44.67	nM	7.35	Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ...	25970039
Probable G-protein coupled receptor 34	EC50	=	700.0	nM	6.16	Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ...	25970039
Probable G-protein coupled receptor 34	EC50	=	707.95	nM	6.15	Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 ...	25970039

PubMed	DOI	Target Context	# Activities
25970039	10.1021/jm5020082	Probable G-protein coupled receptor 34	2
25970039	10.1021/jm5020082	Putative P2Y purinoceptor 10	2
25970039	10.1021/jm5020082	Probable G-protein coupled receptor 174	1

Data from ChEMBL 36 via Core Engine