Compound Detail
CHEMBL504113
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C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](NC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Basic Information
| ChEMBL ID | CHEMBL504113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQJDKSYTZNBTJQ-YVOKFAGKSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
778.0
MW (Da)
2.91
ALogP
9
HBA
8
HBD
215.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18805690 | 10.1016/j.bmcl.2008.09.013 | MCF7 | 2 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Candida albicans | 2 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Escherichia coli | 2 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | HEK293 | 2 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Cryptococcus neoformans | 1 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Benjaminiella poitrasii | 1 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Yarrowia lipolytica | 1 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Fusarium oxysporum | 1 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine