Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3360203

PILARALISIB
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1

Basic Information

ChEMBL ID CHEMBL3360203
Name PILARALISIB
Phase Phase II
Structure Type MOL
InChI Key QINPEPAQOBZPOF-UHFFFAOYSA-N

Known Names

Pilaralisib Sar-245408 SAR245408 XL-147 XL147
7
Targets
18
Activities
1
Assay Types
0
PK Parameters
18
Publications
5
Known Names
9
Indications
1
Mechanisms

Molecular Properties

541.0
MW (Da)
4.51
ALogP
8
HBA
4
HBD
148.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -lisib
USAN Year 2014

Extended Properties

Molecular Formula C25H25ClN6O4S
MW 541.03
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.58

Mechanism of Action

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

Indications

Endometrial Neoplasms Endometrial Neoplasms Breast Neoplasms Breast Neoplasms Carcinoma, Non-Small-Cell Lung Glioblastoma Lymphoma Neoplasms Neoplasms

Activity Summary

IC50 18 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
IC50 7.64 7.5733 23.0 3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 7.64 7.285 23.0 4
Unchecked
CHEMBL612545
IC50 7.64 7.64 23.0 3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
CHEMBL3145
IC50 7.44 6.76 36.0 3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
IC50 7.41 7.41 39.0 3
DNA-dependent protein kinase catalytic subunit
CHEMBL3142
IC50 5.32 5.32 4800.0 1
Phosphatidylinositol 3-kinase catalytic subunit type 3
CHEMBL1075165
IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 23.0 nM 7.64 Inhibition of human GDT-fused recombinant PI3K p100beta/p85alpha by nonradiometr... 24983663
Unchecked IC50 = 23.0 nM 7.64 Inhibition of human GDT-fused recombinant PI3K p100alpha/p85alpha by nonradiomet... 24983663
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 23.0 nM 7.64 Inhibition of human recombinant PI3Kgamma by luciferase-luciferin-coupled chemil... 27644332
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 23.0 nM 7.64 Inhibition of PI3K-delta (unknown origin) -
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 23.0 nM 7.64 Reversible competitive inhibition of PI3K p110delta (unknown origin) 31581005
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 23.0 nM 7.64 Inhibition of p110 gamma (unknown origin) 20729870
Unchecked IC50 = 23.0 nM 7.64 Inhibition of human GDT-fused recombinant PI3K p100delta/p85alpha by nonradiomet... 24983663
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 36.0 nM 7.44 Inhibition of p110 delta (unknown origin) 20729870
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 36.0 nM 7.44 Reversible competitive inhibition of PI3K p110beta (unknown origin) 31581005
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 36.0 nM 7.44 Inhibition of PI3K-gamma (unknown origin) -
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 39.0 nM 7.41 Inhibition of PI3K-alpha (unknown origin) -
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 39.0 nM 7.41 Reversible competitive 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 p110 alpha (unknown origin) 20729870
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 383.0 nM 6.42 Inhibition of PI3K-beta (unknown origin) -
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 383.0 nM 6.42 Reversible competitive inhibition of PI3K p110gamma (unknown origin) 31581005
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 383.0 nM 6.42 Inhibition of p110 beta (unknown origin) 20729870
DNA-dependent protein kinase catalytic subunit IC50 = 4800.0 nM 5.32 Inhibition of human DNA-PK by by luciferase-luciferin-coupled chemiluminescence ... 27644332
Phosphatidylinositol 3-kinase catalytic subunit type 3 IC50 = 7000.0 nM 5.16 Inhibition of N-terminal tagged full-length human VPS34 by luciferase-luciferin-... 27644332

Literature References

PubMed DOI Target Context # Activities
24983663 10.1021/jm5006034 Unchecked 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
31581005 10.1016/j.ejmech.2019.111718 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
20729870 10.1038/aps.2010.150 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
20729870 10.1038/aps.2010.150 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
20729870 10.1038/aps.2010.150 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
20729870 10.1038/aps.2010.150 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
38157838 10.1016/j.bmc.2023.117561 Unchecked 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
31581005 10.1016/j.ejmech.2019.111718 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
31581005 10.1016/j.ejmech.2019.111718 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
31581005 10.1016/j.ejmech.2019.111718 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
28835805 10.1021/acsmedchemlett.7b00222 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
27644332 10.1021/acs.jmedchem.6b00963 DNA-dependent protein kinase catalytic subunit 1
27644332 10.1021/acs.jmedchem.6b00963 Phosphatidylinositol 3-kinase catalytic subunit type 3 1
27644332 10.1021/acs.jmedchem.6b00963 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine