Compound Detail

CHEMBL5080660

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O=P(O)(O)Oc1cc(OP(=O)(O)O)c(OP(=O)(O)O)cc1OCCOc1cc(OP(=O)(O)O)c(OP(=O)(O)O)cc1OP(=O)(O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5080660
Phase	Preclinical
Structure Type	MOL
InChI Key	SPZGMBGXCYAMCB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

790.1

MW (Da)

-0.03

ALogP

HBA

HBD

419.0

PSA (Å²)

0.07

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.51

Ki 1 meas. best 5.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 CHEMBL2331064	IC50	7.51	6.0133	31.0	3
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 CHEMBL2331064	Ki	5.31	5.31	4900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	IC50	=	31.0	nM	7.51	Inhibition of 2-FAM-InsP5 binding to human SHIP2 catalytic domain (419 to 832 re...	33724834
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	IC50	=	2700.0	nM	5.57	Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase act...	33724834
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	Ki	=	4900.0	nM	5.31	Inhibition of human SHIP2 (419 to 732 residues) expressed in Escherichia coli by...	33724834
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	IC50	=	11000.0	nM	4.96	Inhibition of human SHIP2 catalytic domain (419 to 832 residues) phosphatase act...	33724834

PubMed	DOI	Target Context	# Activities
33724834	10.1021/acs.jmedchem.0c01944	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	4

Data from ChEMBL 36 via Core Engine