Compound Detail

CHEMBL3577158

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CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OC[C@H](N)C(=O)OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3577158
Phase	Preclinical
Structure Type	MOL
InChI Key	QVEBZSGEOAIWGJ-MCNIBRDVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

537.6

MW (Da)

4.56

ALogP

HBA

HBD

154.6

PSA (Å²)

0.07

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 6.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Putative P2Y purinoceptor 10 CHEMBL3562166	EC50	6.85	6.845	140.0	2
Probable G-protein coupled receptor 174 CHEMBL3562167	EC50	5.96	5.96	1096.5	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Putative P2Y purinoceptor 10	EC50	=	140.0	nM	6.85	Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ...	25970039
Putative P2Y purinoceptor 10	EC50	=	144.54	nM	6.84	Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 ...	25970039
Probable G-protein coupled receptor 174	EC50	=	1100.0	nM	5.96	Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after ...	25970039
Probable G-protein coupled receptor 174	EC50	=	1096.48	nM	5.96	Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after ...	25970039

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

Data from ChEMBL 36 via Core Engine