Compound Detail

CHEMBL5398282

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CC(C)(C)c1ccc(-c2cccc(COc3ccccc3CCC(=O)OCCCOP(=O)(O)OC[C@H](N)C(=O)O)c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5398282
Phase	Preclinical
Structure Type	MOL
InChI Key	VCDQEXACZARHTQ-NDEPHWFRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

613.6

MW (Da)

5.64

ALogP

HBA

HBD

154.6

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 4 meas. best 7.46

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Putative P2Y purinoceptor 10 CHEMBL3562168	EC50	7.46	7.46	34.7	2
Probable G-protein coupled receptor 34 CHEMBL1075291	EC50	6.02	6.02	950.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Putative P2Y purinoceptor 10	EC50	=	35.0	nM	7.46	Agonist activity at mouse LPS2/P2Y10 transfected in HEK293-A cells co-transfecte...	36965226
Putative P2Y purinoceptor 10	EC50	=	34.67	nM	7.46	Agonist activity at mouse LPS2/P2Y10 transfected in HEK293-A cells co-transfecte...	36965226
Probable G-protein coupled receptor 34	EC50	=	950.0	nM	6.02	Agonist activity at mouse LPS1/GPR34 transfected in HEK293-A cells co-transfecte...	36965226
Probable G-protein coupled receptor 34	EC50	=	954.99	nM	6.02	Agonist activity at mouse LPS1/GPR34 transfected in HEK293-A cells co-transfecte...	36965226

PubMed	DOI	Target Context	# Activities
36965226	10.1016/j.ejmech.2023.115271	Probable G-protein coupled receptor 34	3
36965226	10.1016/j.ejmech.2023.115271	Putative P2Y purinoceptor 10	3

Data from ChEMBL 36 via Core Engine