Compound Detail
CHEMBL2047351
BAHAMAOLIDE A Enter ChEMBL ID:
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CC(C)[C@@H]1OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL2047351 |
| Name | BAHAMAOLIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLPMWTXTIALTJI-PGGSLBAFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
708.9
MW (Da)
3.08
ALogP
11
HBA
9
HBD
208.4
PSA (Ų)
0.18
QED
3
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Isocitrate lyase CHEMBL5359 | IC50 | 4.93 | 4.93 | 11820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10800.0 | nM | 4.97 | Inhibition of candida albicans ICL assessed as formation of glyoxylate phenylhyd... | 22574670 |
| Isocitrate lyase | IC50 | = | 11820.0 | nM | 4.93 | Inhibition of Candida albicans ATCC 10231 isocitrate lyase | 25052426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25052426 | 10.1016/j.bmcl.2014.07.021 | Candida albicans | 16 |
| 22574670 | 10.1021/np3001915 | Salmonella typhimurium | 1 |
| 25052426 | 10.1016/j.bmcl.2014.07.021 | Isocitrate lyase | 1 |
| 22574670 | 10.1021/np3001915 | SK-HEP1 | 1 |
| 22574670 | 10.1021/np3001915 | MDA-MB-231 | 1 |
| 22574670 | 10.1021/np3001915 | HCT-116 | 1 |
| 22574670 | 10.1021/np3001915 | A549 | 1 |
| 22574670 | 10.1021/np3001915 | Escherichia coli | 1 |
| 22574670 | 10.1021/np3001915 | Proteus vulgaris | 1 |
| 22574670 | 10.1021/np3001915 | Aspergillus fumigatus | 1 |
| 22574670 | 10.1021/np3001915 | Micrococcus luteus | 1 |
| 22574670 | 10.1021/np3001915 | Bacillus subtilis | 1 |
| 22574670 | 10.1021/np3001915 | Staphylococcus aureus | 1 |
| 22574670 | 10.1021/np3001915 | Unchecked | 1 |
| 22574670 | 10.1021/np3001915 | Candida albicans | 1 |
| 22574670 | 10.1021/np3001915 | Trichophyton mentagrophytes | 1 |
| 22574670 | 10.1021/np3001915 | Trichophyton rubrum | 1 |
Data from ChEMBL 36 via Core Engine