Compound Detail
CHEMBL4851911
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COc1ncc(-c2sc3c(-c4ccc(CNC=O)s4)ncnc3c2C)cc1NS(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4851911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMJKUMWQILWDHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
4.85
ALogP
9
HBA
2
HBD
123.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 7.09 | 7.09 | 80.9 | 1 |
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 | = | 3.29 | nM | 8.48 | Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay | 34795869 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 80.88 | nM | 7.09 | Inhibition of mTOR (unknown origin) by LanthaScreen assay | 34795869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34795869 | 10.1021/acsmedchemlett.1c00412 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 34795869 | 10.1021/acsmedchemlett.1c00412 | Serine/threonine-protein kinase mTOR | 1 |
| 34795869 | 10.1021/acsmedchemlett.1c00412 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine