Compound Detail
CHEMBL4248529
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Basic Information
| ChEMBL ID | CHEMBL4248529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNGGLFWITGYQKY-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
2.10
ALogP
8
HBA
1
HBD
104.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-OV-3 CHEMBL614925 | IC50 | 7.26 | 7.26 | 54.5 | 1 |
| PC-3 CHEMBL390 | IC50 | 7.18 | 7.18 | 66.6 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 7.06 | 7.06 | 88.0 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 7.04 | 7.04 | 90.3 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.73 | 6.73 | 185.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-OV-3 | IC50 | = | 54.5 | nM | 7.26 | Antiproliferative activity against human SKOV3 cells assessed as reduction in ce... | 29945756 |
| PC-3 | IC50 | = | 66.6 | nM | 7.18 | Antiproliferative activity against human PC3 cells assessed as reduction in cell... | 29945756 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 88.0 | nM | 7.06 | Inhibition of mTOR (unknown origin) using ULight-4E-BP1 peptide substrate measur... | 29945756 |
| U-87 MG | IC50 | = | 90.3 | nM | 7.04 | Antiproliferative activity against human U87MG cells assessed as reduction in ce... | 29945756 |
| MCF7 | IC50 | = | 185.7 | nM | 6.73 | Antiproliferative activity against human MCF7 cells assessed as reduction in cel... | 29945756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29945756 | 10.1016/j.bmc.2018.06.025 | Serine/threonine-protein kinase mTOR | 1 |
| 29945756 | 10.1016/j.bmc.2018.06.025 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 29945756 | 10.1016/j.bmc.2018.06.025 | U-87 MG | 1 |
| 29945756 | 10.1016/j.bmc.2018.06.025 | MCF7 | 1 |
| 29945756 | 10.1016/j.bmc.2018.06.025 | PC-3 | 1 |
| 29945756 | 10.1016/j.bmc.2018.06.025 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine