Compound Detail
CHEMBL5417140
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CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O/C([C@H](C)C[C@@H]2CC[C@@H](OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N3CCc4cc(Cn5nc(-c6ccc7oc(N)nc7c6)c6c(N)ncnc65)ccc4C3)[C@H](OC)C2)=C/C(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
Basic Information
| ChEMBL ID | CHEMBL5417140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHENAZPUZOFPIZ-KZJHUSLMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1774.1
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| mTORC1 CHEMBL4296661 | IC50 | 7.1 | 6.8 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| mTORC1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of mTORC1 in human MDA-MB-468 cells assessed as reduction in P70S6K p... | 36533617 |
| mTORC1 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of mTORC1 in human MDA-MB-468 cells assessed as reduction in 4EBP1 ph... | 36533617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36533617 | 10.1021/acs.jmedchem.2c01658 | mTORC1 | 2 |
| 36533617 | 10.1021/acs.jmedchem.2c01658 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine