Compound Detail
CHEMBL5595590
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Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NCCOCCOCC(=O)NCC(=O)O[C@H]2CC[C@H](Nc3cc(-n4nc(C(F)(F)F)c5c4CC(C)(C)CC5=O)ccc3C(N)=O)CC2)C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5595590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNOMUPBFBJEFAG-SLJIWDJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1094.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SiHa CHEMBL612542 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SiHa | IC50 | = | 30.0 | nM | 7.52 | Antiproliferative activity against human SiHa cells assessed as reduction in cel... | 38861809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38861809 | 10.1016/j.ejmech.2024.116572 | Unchecked | 2 |
| 38861809 | 10.1016/j.ejmech.2024.116572 | SiHa | 1 |
Data from ChEMBL 36 via Core Engine