Compound Detail
CHEMBL2348863
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Basic Information
| ChEMBL ID | CHEMBL2348863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVFYKPHMSAZPQO-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
1.84
ALogP
7
HBA
2
HBD
105.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 6.75 | 6.17 | 176.0 | 2 |
| mTORC1 CHEMBL4296661 | IC50 | 6.75 | 6.185 | 176.0 | 2 |
| mTORC2 CHEMBL4523999 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.59 | 2550.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.38 | 5.38 | 4180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 176.0 | nM | 6.75 | Inhibition of recombinant mTOR (unknown origin) using GST-p70S6 as substrate aft... | 23414803 |
| mTORC1 | IC50 | = | 176.0 | nM | 6.75 | Inhibition of mTORC1 (unknown origin) | 35688004 |
| mTORC1 | IC50 | = | 2410.0 | nM | 5.62 | Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphoryla... | 23414803 |
| mTORC2 | IC50 | = | 2410.0 | nM | 5.62 | Inhibition of mTORC2 (unknown origin) | 35688004 |
| Unchecked | IC50 | = | 2550.0 | nM | 5.59 | Inhibition of mTORC2 in human PC3 cells assessed as inhibition of AKTS473 phosph... | 23414803 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 2550.0 | nM | 5.59 | Inhibition of mTOR (unknown origin) | 35688004 |
| PC-3 | IC50 | = | 4180.0 | nM | 5.38 | Cytotoxicity against human PC3 cells assessed as growth inhibition after 3 days ... | 23414803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23414803 | 10.1016/j.bmcl.2013.01.110 | Unchecked | 2 |
| 23414803 | 10.1016/j.bmcl.2013.01.110 | PC-3 | 1 |
| 23414803 | 10.1016/j.bmcl.2013.01.110 | mTORC1 | 1 |
| 23414803 | 10.1016/j.bmcl.2013.01.110 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 23414803 | 10.1016/j.bmcl.2013.01.110 | Serine/threonine-protein kinase mTOR | 1 |
| 35688004 | 10.1016/j.ejmech.2022.114498 | mTORC1 | 1 |
| 35688004 | 10.1016/j.ejmech.2022.114498 | mTORC2 | 1 |
| 35688004 | 10.1016/j.ejmech.2022.114498 | Serine/threonine-protein kinase mTOR | 1 |
| 35688004 | 10.1016/j.ejmech.2022.114498 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine