Compound Detail

CHEMBL6020035

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CNS(=O)(=O)c1cc(-c2sc(Nc3cccc(N(C)C(=O)COC)n3)nc2C)cc2c1C(=O)N([C@@H](C)C1CC1)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6020035
Phase	Preclinical
Structure Type	MOL
InChI Key	YAOHUGMVFAJBNE-INIZCTEOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

584.7

MW (Da)

3.53

ALogP

HBA

HBD

133.8

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 9.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	9.4	9.4	0.4	1
Unchecked CHEMBL612545	IC50	9.05	9.05	0.9	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	7.1	7.1	80.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	6.14	6.14	724.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	0.4	nM	9.4	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Unchecked	IC50	=	0.9	nM	9.05	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	80.0	nM	7.1	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	IC50	=	724.0	nM	6.14	Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)...	-

Data from ChEMBL 36 via Core Engine