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Compound Detail

CHEMBL4297181

SAMOTOLISIB
🧪 Phase II
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🧪 Phase II
CO[C@@H](C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297181
Name SAMOTOLISIB
Phase Phase II
Structure Type MOL
InChI Key ACCFLVVUVBJNGT-AWEZNQCLSA-N

Known Names

LY 3023414 Ly-3023414 LY3023414 Samotolisib
5
Targets
14
Activities
1
Assay Types
0
PK Parameters
18
Publications
4
Known Names
11
Indications
2
Mechanisms

Molecular Properties

406.5
MW (Da)
3.21
ALogP
7
HBA
1
HBD
82.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -lisib
USAN Year 2018

Extended Properties

Molecular Formula C23H26N4O3
MW 406.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.54

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

Carcinoma, Non-Small-Cell Lung Carcinoma, Pancreatic Ductal Endometrial Neoplasms Prostatic Neoplasms, Castration-Resistant Breast Neoplasms Breast Neoplasms Colorectal Neoplasms Lymphoma, Non-Hodgkin Mesothelioma Neoplasm Metastasis Neoplasms

Activity Summary

IC50 14 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
CHEMBL4005
 IC50 8.22 8.22 6.1 3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
CHEMBL3130
 IC50 7.62 7.4867 23.8 3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
 IC50 7.62 7.5533 23.8 3
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
CHEMBL3145
 IC50 7.11 7.11 77.6 3
Serine/threonine-protein kinase mTOR
CHEMBL2842
 IC50 6.78 6.78 165.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 6.07 nM 8.22 Inhibition of human recombinant PI3Kalpha in presence of ATP by scintillation pr... 32966896
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 6.07 nM 8.22 Inhibition of recombinant human P13Kalpha in the presence of ATP by scintillatio... 36462440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform IC50 = 6.07 nM 8.22 Inhibition of PI3Kalpha (unknown origin) using PIP2 as substrate measured after ... 38183777
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 23.8 nM 7.62 Inhibition of PI3Kdelta (unknown origin) 32966896
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 23.8 nM 7.62 Inhibition of P13Kgamma (unknown origin) 36462440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 23.8 nM 7.62 Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate preincubated fo... 38183777
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform IC50 = 38.0 nM 7.42 Inhibition of PI3Kgamma (unknown origin) 32966896
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 38.0 nM 7.42 Inhibition of P13Kdelta (unknown origin) 36462440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform IC50 = 38.0 nM 7.42 Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate preincubated fo... 38183777
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 77.6 nM 7.11 Inhibition of human recombinant PI3Kbeta in presence of ATP by scintillation pro... 32966896
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 77.6 nM 7.11 Inhibition of P13Kbeta (unknown origin) in the presence of ATP by scintillation ... 36462440
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform IC50 = 77.6 nM 7.11 Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate preincubated for... 38183777
Serine/threonine-protein kinase mTOR IC50 = 165.0 nM 6.78 Inhibition of mTOR (unknown origin) by Lanthascreen kinase assay 32966896
Serine/threonine-protein kinase mTOR IC50 = 165.0 nM 6.78 Inhibition of mTOR (unknown origin) by lanthascreen kinase assay 36462440

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
36462440 10.1016/j.ejmech.2022.114971 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
38183777 10.1016/j.ejmech.2023.116109 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
38183777 10.1016/j.ejmech.2023.116109 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
38183777 10.1016/j.ejmech.2023.116109 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
38183777 10.1016/j.ejmech.2023.116109 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
36462440 10.1016/j.ejmech.2022.114971 Serine/threonine-protein kinase mTOR 1
36462440 10.1016/j.ejmech.2022.114971 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
36462440 10.1016/j.ejmech.2022.114971 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
36462440 10.1016/j.ejmech.2022.114971 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
32966896 10.1016/j.ejmech.2020.112820 Serine/threonine-protein kinase mTOR 1
32966896 10.1016/j.ejmech.2020.112820 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
32966896 10.1016/j.ejmech.2020.112820 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
32966896 10.1016/j.ejmech.2020.112820 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
32966896 10.1016/j.ejmech.2020.112820 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine