Compound Detail
CHEMBL5266691
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CCC(C)[C@H](NC(=S)[C@@H](NC(=O)C(C)O)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1O)C(=S)N[C@@H](C)C(=S)N[C@H](C(=O)N[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2cn(C)c[n+]2C)C(=O)N/C=C\SC1C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5266691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYDVQENXJWICBU-CQALZBLNSA-O |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1330.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| HeLa CHEMBL399 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| PaTu 8988t CHEMBL4296488 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 48.0 | nM | 7.32 | Anticancer activity against human A549 cells assessed as reduction in cell viabi... | 32942072 |
| HeLa | IC50 | = | 50.0 | nM | 7.3 | Anticancer activity against human HeLa cells assessed as reduction in cell viabi... | 32942072 |
| MCF7 | IC50 | = | 59.0 | nM | 7.23 | Anticancer activity against human MCF7 cells assessed as reduction in cell viabi... | 32942072 |
| PaTu 8988t | IC50 | = | 65.0 | nM | 7.19 | Anticancer activity against human PaTu 8988t cells assessed as reduction in cell... | 32942072 |
| MDA-MB-231 | IC50 | = | 72.0 | nM | 7.14 | Anticancer activity against human MDA-MB-231 cells assessed as reduction in cell... | 32942072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32942072 | 10.1016/j.ejmech.2020.112779 | A549 | 1 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | MCF7 | 1 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | MDA-MB-231 | 1 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | HeLa | 1 |
| 32942072 | 10.1016/j.ejmech.2020.112779 | PaTu 8988t | 1 |
Data from ChEMBL 36 via Core Engine