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Compound Detail

CHEMBL3545366

VOXTALISIB
🧪 Phase II
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🧪 Phase II
CCn1c(=O)c(-c2cc[nH]n2)cc2c(C)nc(N)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545366
Name VOXTALISIB
Phase Phase II
Structure Type MOL
InChI Key RGHYDLZMTYDBDT-UHFFFAOYSA-N

Known Names

SAR-245409 SAR245409 Voxtalisib XL-765 XL765
5
Targets
21
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
13
Indications
2
Mechanisms

Molecular Properties

270.3
MW (Da)
1.09
ALogP
6
HBA
2
HBD
102.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -lisib
USAN Year 2014

Extended Properties

Molecular Formula C13H14N6O
MW 270.30
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.46

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Serine/threonine-protein kinase mTOR inhibitor INHIBITOR Serine/threonine-protein kinase mTOR ✓ ✓
PI3-kinase class I inhibitor INHIBITOR PI3-kinase class I ✓ ✓

Indications

Lymphoma Ovarian Neoplasms Breast Neoplasms Carcinoma, Non-Small-Cell Lung Colorectal Neoplasms Glioblastoma Glioma Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma, Mantle-Cell Lymphoma, Non-Hodgkin Melanoma Neoplasms Neoplasms

Activity Summary

IC50 21 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
 IC50 8.05 7.54 9.0 4
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
 IC50 8.05 7.88 9.0 4
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
 IC50 7.41 7.41 39.0 5
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
CHEMBL3145
 IC50 6.96 6.955 110.0 4
Serine/threonine-protein kinase mTOR
CHEMBL2842
 IC50 6.82 6.805 150.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 9.0 nM 8.05 Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression sys... 34894440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 9.0 nM 8.05 Inhibition of P13Kgamma (unknown origin) 36462440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 9.0 nM 8.05 Inhibition of PI3Kgamma (unknown origin) using biotin-PIP3 as substrate preincub... 38183777
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 9.0 nM 8.05 Inhibition of PI3K p110gamma (unknown origin) 31581005
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 39.0 nM 7.41 Inhibition of PI3K p110alpha (unknown origin) 31581005
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 39.0 nM 7.41 Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate... 33214824
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 39.0 nM 7.41 Inhibition of PI3Kalpha (unknown origin) expressed in baculovirus expression sys... 34894440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 39.0 nM 7.41 Inhibition of P13Kalpha (unknown origin) 36462440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 39.0 nM 7.41 Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after ... 38183777
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 43.0 nM 7.37 Inhibition of PI3Kgamma (unknown origin) expressed in baculovirus expression sys... 34894440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 43.0 nM 7.37 Inhibition of PI3Kdelta (unknown origin) using biotin-PIP3 as substrate preincub... 38183777
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 43.0 nM 7.37 Inhibition of P13Kdelta (unknown origin) 36462440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 43.0 nM 7.37 Inhibition of PI3K p110delta (unknown origin) 31581005
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 110.0 nM 6.96 Inhibition of P13Kbeta (unknown origin) 36462440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 110.0 nM 6.96 Inhibition of PI3Kbeta (unknown origin) using biotin-PIP3 as substrate preincuba... 38183777
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 113.0 nM 6.95 Inhibition of PI3K p110beta (unknown origin) 31581005
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 113.0 nM 6.95 Inhibition of PI3Kbeta (unknown origin) expressed in baculovirus expression syst... 34894440
Serine/threonine-protein kinase mTOR IC50 = 150.0 nM 6.82 Inhibition of mTOR (unknown origin) 38183777
Serine/threonine-protein kinase mTOR IC50 = 157.0 nM 6.8 Inhibition of mTOR (unknown origin) 31581005
Serine/threonine-protein kinase mTOR IC50 = 157.0 nM 6.8 Inhibition of mTOR (unknown origin) 33214824

Literature References

PubMed DOI Target Context # Activities
29191878 10.1126/science.aan4368 Unchecked 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29191878 10.1126/science.aan4368 Activin receptor type-1 1
29191878 10.1126/science.aan4368 RAC-alpha serine/threonine-protein kinase 1
29191878 10.1126/science.aan4368 Adenylate kinase 2, mitochondrial 1
29191878 10.1126/science.aan4368 Adenosine kinase 1
29191878 10.1126/science.aan4368 Atypical kinase COQ8A, mitochondrial 1
29191878 10.1126/science.aan4368 AarF domain-containing protein kinase 1 1
29191878 10.1126/science.aan4368 Activin receptor type-2B 1
29191878 10.1126/science.aan4368 Activin receptor type-1B 1
29191878 10.1126/science.aan4368 AP2-associated protein kinase 1 1
38157838 10.1016/j.bmc.2023.117561 Unchecked 1
29191878 10.1126/science.aan4368 Actin-related protein 2 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 3 1
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 1 1
29191878 10.1126/science.aan4368 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 11 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 10 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1

Data from ChEMBL 36 via Core Engine