Compound Detail

CHEMBL3577179

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CCCCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3577179
Phase	Preclinical
Structure Type	MOL
InChI Key	YBPJQSQZGMFTDC-QHCPKHFHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

545.6

MW (Da)

5.01

ALogP

HBA

HBD

154.6

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 8.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Putative P2Y purinoceptor 10 CHEMBL3562166	EC50	8.77	8.77	1.7	2
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	5.8	5.795	1600.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Putative P2Y purinoceptor 10	EC50	=	1.7	nM	8.77	Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ...	25970039
Putative P2Y purinoceptor 10	EC50	=	1.698	nM	8.77	Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ...	25970039
Probable G-protein coupled receptor 34	EC50	=	1600.0	nM	5.8	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	28715213
Probable G-protein coupled receptor 34	EC50	=	1621.81	nM	5.79	Agonist activity at mouse 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	4
25970039	10.1021/jm5020082	Putative P2Y purinoceptor 10	3
25970039	10.1021/jm5020082	Probable G-protein coupled receptor 34	1
25970039	10.1021/jm5020082	Probable G-protein coupled receptor 174	1

Data from ChEMBL 36 via Core Engine