Compound Detail
CHEMBL1080142
MEXICANOLIDE Enter ChEMBL ID:
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COC(=O)C[C@H]1C(C)(C)C(=O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
Basic Information
| ChEMBL ID | CHEMBL1080142 |
| Name | MEXICANOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNFJSIPZGYBGON-JCLAUGGVSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.36
ALogP
7
HBA
0
HBD
99.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908853 | 10.1021/np900640u | NON-PROTEIN TARGET | 2 |
| 19902967 | 10.1021/np900522h | Nannizzia gypsea | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 21733687 | 10.1016/j.bmcl.2011.06.010 | Neutrophil | 1 |
| 21733687 | 10.1016/j.bmcl.2011.06.010 | RAW264.7 | 1 |
| 19908853 | 10.1021/np900640u | HepG2 | 1 |
| 19908853 | 10.1021/np900640u | BT-474 | 1 |
| 19908853 | 10.1021/np900640u | SW-620 | 1 |
| 19902967 | 10.1021/np900522h | Trichophyton rubrum | 1 |
| 19902967 | 10.1021/np900522h | Staphylococcus aureus | 1 |
| 19902967 | 10.1021/np900522h | Saccharomyces | 1 |
| 19902967 | 10.1021/np900522h | Candida albicans | 1 |
| 19902967 | 10.1021/np900522h | Bacillus subtilis | 1 |
| 19902967 | 10.1021/np900522h | Pseudomonas aeruginosa | 1 |
| 19902967 | 10.1021/np900522h | Shigella flexneri | 1 |
| 19902967 | 10.1021/np900522h | Escherichia coli | 1 |
| 19902967 | 10.1021/np900522h | Kocuria rhizophila | 1 |
| 19902967 | 10.1021/np900522h | Staphylococcus epidermidis | 1 |
Data from ChEMBL 36 via Core Engine