Compound Detail
CHEMBL5598509
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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5598509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNKOJJXJNBXPCT-ZNTUHGOWSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
1706.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.11
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 7852.0 | nM | 5.11 | Cytotoxicity against human HeLa cells assessed as inhibition of cell growth incu... | 38795519 |
| A549 | IC50 | = | 8712.0 | nM | 5.06 | Cytotoxicity against human A549 cells assessed as inhibition of cell growth incu... | 38795519 |
| HK-2 | IC50 | = | 8907.0 | nM | 5.05 | Cytotoxicity against HK-2 cells assessed as inhibition of cell growth incubated ... | 38795519 |
| Unchecked | IC50 | = | 12070.0 | nM | 4.92 | Cytotoxicity against RG cells (unknown origin) assessed as inhibition of cell gr... | 38795519 |
| MCF7 | IC50 | = | 12470.0 | nM | 4.9 | Cytotoxicity against human MCF7 cells assessed as inhibition of cell growth incu... | 38795519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38795519 | 10.1016/j.ejmech.2024.116519 | ADMET | 4 |
| 38795519 | 10.1016/j.ejmech.2024.116519 | HeLa | 1 |
| 38795519 | 10.1016/j.ejmech.2024.116519 | MCF7 | 1 |
| 38795519 | 10.1016/j.ejmech.2024.116519 | Unchecked | 1 |
| 38795519 | 10.1016/j.ejmech.2024.116519 | A549 | 1 |
| 38795519 | 10.1016/j.ejmech.2024.116519 | HK-2 | 1 |
| 38795519 | 10.1016/j.ejmech.2024.116519 | Erythrocyte | 1 |
Data from ChEMBL 36 via Core Engine