Compound Detail
CHEMBL4521700
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CC(C)[C@H]1CC[C@@](O)(COC(=O)C2=C[C@@H]3[C@@H](C(C)C)CC[C@@](O)(COC(=O)/C(=C/[C@H]4C=C(CO)CC[C@@H]4C(C)C)CO)[C@H]3C(=O)OC2)[C@H]2C(=O)OCC(C(=O)O)=C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL4521700 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPTXEURWLQCBFO-PQBHEWIPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
815.0
MW (Da)
3.70
ALogP
13
HBA
5
HBD
223.4
PSA (Ų)
0.08
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Staphylococcus aureus | 2 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Escherichia coli | 2 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Pseudomonas aeruginosa | 2 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Klebsiella pneumoniae | 2 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | SW-620 | 1 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | NCI-H460 | 1 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Candida albicans | 1 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Bacillus subtilis | 1 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Streptococcus pyogenes | 1 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Acinetobacter baumannii | 1 |
| 31625738 | 10.1021/acs.jnatprod.9b00760 | Enterococcus faecalis | 1 |
Data from ChEMBL 36 via Core Engine