Compound Detail
CHEMBL4073368
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Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@H](C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)[C@@H](O)C[C@@H]5C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O
Basic Information
| ChEMBL ID | CHEMBL4073368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XATRISMANZEMDH-GIYVJPTOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1271.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.56
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | EC50 | = | 2.77 | nM | 8.56 | Cytotoxicity against human PC3 cells assessed as reduction in cell viability aft... | 27736087 |
| A549 | EC50 | = | 7.67 | nM | 8.12 | Cytotoxicity against human A549 cells assessed as reduction in cell viability af... | 27736087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27736087 | 10.1021/acs.jnatprod.6b00742 | Staphylococcus aureus | 1 |
| 27736087 | 10.1021/acs.jnatprod.6b00742 | Micrococcus luteus | 1 |
| 27736087 | 10.1021/acs.jnatprod.6b00742 | Bacillus spizizenii | 1 |
| 27736087 | 10.1021/acs.jnatprod.6b00742 | Mycolicibacterium aurum | 1 |
| 27736087 | 10.1021/acs.jnatprod.6b00742 | Unchecked | 1 |
| 27736087 | 10.1021/acs.jnatprod.6b00742 | Escherichia coli | 1 |
| 27736087 | 10.1021/acs.jnatprod.6b00742 | Saccharomyces cerevisiae | 1 |
| 27736087 | 10.1021/acs.jnatprod.6b00742 | PC-3 | 1 |
| 27736087 | 10.1021/acs.jnatprod.6b00742 | A549 | 1 |
Data from ChEMBL 36 via Core Engine