Compound Detail

CHEMBL4753103

Enter ChEMBL ID:

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

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4753103
Phase	Preclinical
Structure Type	MOL
InChI Key	WTHILFAMRXZBRN-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 10 meas. best 9.12

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Probable G-protein coupled receptor 34 CHEMBL3562165	EC50	9.12	9.12	0.8	2
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	9.08	9.08	0.8	2
Putative P2Y purinoceptor 10 CHEMBL3562168	EC50	9.01	9.005	1.0	2
G protein-coupled receptor 34b CHEMBL4739857	EC50	7.94	7.93	11.5	2
G protein-coupled receptor 34a CHEMBL4739839	EC50	6.29	6.29	510.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Probable G-protein coupled receptor 34	EC50	=	0.75	nM	9.12	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	32787112
Probable G-protein coupled receptor 34	EC50	=	0.7586	nM	9.12	Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP...	32787112
Probable G-protein coupled receptor 34	EC50	=	0.83	nM	9.08	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	32787112
Probable G-protein coupled receptor 34	EC50	=	0.8318	nM	9.08	Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP...	32787112
Putative P2Y purinoceptor 10	EC50	=	0.9772	nM	9.01	Agonist activity at mouse P2Y10 expressed in HEK293 cells co-transfected with AP...	32787112
Putative P2Y purinoceptor 10	EC50	=	1.0	nM	9.0	Agonist activity at mouse P2Y10 expressed in HEK293 cells co-transfected with AP...	32787112
G protein-coupled receptor 34b	EC50	=	11.48	nM	7.94	Agonist activity at zebrafish GPR34 type b expressed in HEK293 cells co-transfec...	32787112
G protein-coupled receptor 34b	EC50	=	12.0	nM	7.92	Agonist activity at zebrafish GPR34 type b expressed in HEK293 cells co-transfec...	32787112
G protein-coupled receptor 34a	EC50	=	510.0	nM	6.29	Agonist activity at zebrafish GPR34 type a expressed in HEK293 cells co-transfec...	32787112
G protein-coupled receptor 34a	EC50	=	512.86	nM	6.29	Agonist activity at zebrafish GPR34 type a expressed in HEK293 cells co-transfec...	32787112

PubMed	DOI	Target Context	# Activities
32787112	10.1021/acs.jmedchem.0c01126	Probable G-protein coupled receptor 34	8
32787112	10.1021/acs.jmedchem.0c01126	Putative P2Y purinoceptor 10	4
32787112	10.1021/acs.jmedchem.0c01126	G protein-coupled receptor 34a	3
32787112	10.1021/acs.jmedchem.0c01126	G protein-coupled receptor 34b	3

Data from ChEMBL 36 via Core Engine