Compound Detail

CHEMBL1230817

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1230817
Phase	Preclinical
Structure Type	MOL
InChI Key	GOZKRKUVKAXOEP-RRKCRQDMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

411.2

MW (Da)

-0.72

ALogP

HBA

HBD

212.4

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 5 meas. best 5.89

IC50 4 meas. best 5.24

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
P2Y purinoceptor 1 CHEMBL4315	EC50	5.89	5.545	1280.0	2
P2Y purinoceptor 1 CHEMBL4315	IC50	5.24	5.24	5800.0	1
P2Y purinoceptor 1 CHEMBL5720	IC50	5.24	5.24	5760.0	2
Unchecked CHEMBL612545	IC50	5.24	5.24	5760.0	1
P2Y purinoceptor 1 CHEMBL5720	EC50	5.2	5.2	6260.0	2
Meleagris gallopavo CHEMBL613110	EC50	5.2	5.2	6290.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
P2Y purinoceptor 1	EC50	=	1280.0	nM	5.89	Agonist activity at human P2Y1R in human 1321N1 cells	34825182
P2Y purinoceptor 1	IC50	=	5760.0	nM	5.24	Antagonist activity at P2Y1 receptor measured as capacity to inhibit 50% of phos...	9457242
Unchecked	IC50	=	5760.0	nM	5.24	Antagonism of PLC stimulation elicited by 10(nM) 2-Me SADP in turkey RBC	10691699
P2Y purinoceptor 1	IC50	=	5760.0	nM	5.24	In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.	10229631
P2Y purinoceptor 1	IC50	=	5800.0	nM	5.24	Agonist activity at human P2Y1	27413802
P2Y purinoceptor 1	EC50	=	6260.0	nM	5.2	Agonist activity at P2Y1 receptor measured as capacity to stimulate 50% phosphol...	9457242
Meleagris gallopavo	EC50	=	6290.0	nM	5.2	Tested in vitro for effective concentration required for stimulation of phosphol...	10691699
P2Y purinoceptor 1	EC50	=	6290.0	nM	5.2	Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 rec...	10229631
P2Y purinoceptor 1	EC50	=	6300.0	nM	5.2	Agonist activity at human P2Y1	27413802

PubMed	DOI	Target Context	# Activities
9457242	10.1021/jm970433l	P2Y purinoceptor 1	4
10229631	10.1021/jm980657j	P2Y purinoceptor 1	4
10691699	10.1021/jm9905211	Unchecked	2
34825182	10.1039/D1MD00167A	P2Y purinoceptor 1	2
27413802	10.1021/acs.jmedchem.5b01972	P2Y purinoceptor 1	2
10691699	10.1021/jm9905211	P2Y purinoceptor 1	1
10691699	10.1021/jm9905211	Meleagris gallopavo	1

Data from ChEMBL 36 via Core Engine