Compound Detail

CHEMBL2387080

TASELISIB

🧪 Phase III

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🧪 Phase III

Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2387080
Name	TASELISIB
Phase	Phase III
Structure Type	MOL
InChI Key	BEUQXVWXFDOSAQ-UHFFFAOYSA-N

Known Names

GDC-0032 RG-7604 Taselisib

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

460.5

MW (Da)

3.17

ALogP

HBA

HBD

118.7

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Racemic

Flags

Natural Product

USAN Stem	-lisib
USAN Year	2014

Extended Properties

Molecular Formula	C24H28N8O2
MW	460.54
Aromatic Rings	4
Heavy Atoms	34
NP-Likeness	-1.08

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
PI3-kinase class I inhibitor	INHIBITOR	PI3-kinase class I	✓	✓

Indications

Breast Neoplasms Carcinoma, Squamous Cell Multiple Myeloma Lung Neoplasms Lymphoma, Non-Hodgkin Triple Negative Breast Neoplasms

Activity Summary

Ki 23 meas. best 10.1

IC50 11 meas. best 8.4

EC50 4 meas. best 8.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	Ki	10.1	9.282	0.1	5
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	Ki	10.1	9.414	0.1	5
Unchecked CHEMBL612545	Ki	10.05	8.835	0.1	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	Ki	10.05	9.7917	0.1	6
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130	IC50	8.4	8.4	4.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	IC50	8.4	8.4	4.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267	IC50	8.4	8.4	4.0	1
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	IC50	8.4	8.1033	4.0	3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145	Ki	8.04	7.7867	9.1	3
NON-PROTEIN TARGET CHEMBL3879801	EC50	8.0	7.76	10.0	2
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005	EC50	7.62	7.62	24.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	7.6	7.6	25.0	1
Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437	Ki	7.28	7.28	53.0	1
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta CHEMBL5554	IC50	6.54	6.54	292.0	2
Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165	IC50	6.43	6.43	374.0	2
PC-3 CHEMBL390	EC50	6.24	6.24	571.0	1
Serine/threonine-protein kinase mTOR CHEMBL2842	Ki	5.92	5.92	1200.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	178689.52	ng.hr.mL-1	Mus musculus
AUC	178689.52	ng.hr.mL-1	Mus musculus
CL	11.0	mL.min-1.kg-1	Rattus norvegicus
CL	5.2	mL.min-1.kg-1	Mus musculus
CL	3.2	mL.min-1.kg-1	Homo sapiens
CL	1.8	mL.min-1.kg-1	Rattus norvegicus
CL	25.0	mL.min-1.kg-1	Mus musculus
CL	2.7	mL.min-1.kg-1	Mus musculus
CL	41.1	mL.min-1.kg-1	Mus musculus
CL	3.0	mL.min-1.kg-1	Mus musculus
F	100.0	%	Mus musculus
F	99.0	%	Rattus norvegicus
F	100.0	%	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Ki	=	0.079	nM	10.1	Biochemical Inhibition Assay: The biochemical inhibition of four PI3K isoforms b...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Ki	=	0.079	nM	10.1	Biochemical Inhibition Assay: The biochemical inhibition of four PI3K isoforms b...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Ki	=	0.079	nM	10.1	p110alpha (Alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Ki	=	0.09	nM	10.05	Biochemical Inhibition Assay: The biochemical inhibition of four PI3K isoforms b...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Ki	=	0.09	nM	10.05	Biochemical Inhibition Assay: The biochemical inhibition of four PI3K isoforms b...	-
Unchecked	Ki	=	0.09	nM	10.05	p110alpha (Alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Ki	=	0.09	nM	10.05	Inhibition of PI3Kalpha (unknown origin) using PIP2:3PS as substrate in presence...	36455032
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Ki	=	0.12	nM	9.92	Affinity Biochemical interaction (Enzymatic fluorescence polarization assay) EUB...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Ki	=	0.12	nM	9.92	Inhibition of PI3Kdelta (unknown origin)	23662903
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Ki	=	0.29	nM	9.54	Affinity Biochemical interaction (Enzymatic fluorescence polarization assay) EUB...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Ki	=	0.29	nM	9.54	Inhibition of PI3Kalpha (unknown origin) assessed as 3,4,5-inositoltriphosphate ...	23662903
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	Ki	=	0.3	nM	9.52	Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by...	26741947
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Ki	=	0.97	nM	9.01	Affinity Biochemical interaction (Enzymatic fluorescence polarization assay) EUB...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Ki	=	0.97	nM	9.01	Inhibition of PI3Kgamma (unknown origin)	23662903
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	Ki	=	1.43	nM	8.85	p110alpha (Alpha) PI3K Binding Assay: PI3K Binding assays are intended for deter...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	Ki	=	1.43	nM	8.85	Biochemical Inhibition Assay: The biochemical inhibition of four PI3K isoforms b...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	IC50	=	4.0	nM	8.4	Affinity Phenotypic Cellular interaction (MesoScale Discovery assay (AKT phoshor...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform	IC50	=	4.0	nM	8.4	Affinity Phenotypic Cellular interaction (MesoScale Discovery assay (AKT phoshor...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform	IC50	=	4.0	nM	8.4	Affinity Phenotypic Cellular interaction (MesoScale Discovery assay (AKT phoshor...	-
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	IC50	=	4.0	nM	8.4	Affinity Phenotypic Cellular interaction (MesoScale Discovery assay (AKT phoshor...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4689842	U2OS	262
-	10.6019/CHEMBL4689842	Fibroblast	262
-	10.6019/CHEMBL4689842	HEK-293T	260
-	10.6019/CHEMBL5674860	Colon cancer organoid	12
-	10.6019/CHEMBL5724558	Colon cancer organoid	12
26741947	10.1021/acs.jmedchem.5b01483	Mus musculus	7
23662903	10.1021/jm4003632	Mus musculus	7
-	10.6019/CHEMBL5608141	Colon cancer organoid	6
23662903	10.1021/jm4003632	NON-PROTEIN TARGET	6
23662903	10.1021/jm4003632	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	4
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
26741947	10.1021/acs.jmedchem.5b01483	NON-PROTEIN TARGET	4
36455032	10.1021/acs.jmedchem.2c01422	Unchecked	3
23662903	10.1021/jm4003632	Hepatocyte	3
23662903	10.1021/jm4003632	Unchecked	3
26741947	10.1021/acs.jmedchem.5b01483	Unchecked	3
23662903	10.1021/jm4003632	Plasma	3
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
23662903	10.1021/jm4003632	Rattus norvegicus	2
23662903	10.1021/jm4003632	Phosphatidylinositol 3-kinase catalytic subunit type 3	2

Data from ChEMBL 36 via Core Engine