Compound Detail
CHEMBL485981
BUDDLEDIN A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL485981 |
| Name | BUDDLEDIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXWKLEULMBLXJM-PCRFWOPQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.45
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.3 | 4.3 | 50400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of cyclooxygenase in Wistar rat peritoneal leukocytes | 10514305 |
| Prostaglandin G/H synthase 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of COX1 | 16038536 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 50400.0 | nM | 4.3 | Inhibition of 5-lipoxygenase in Wistar rat peritoneal leukocytes | 10514305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10514305 | 10.1021/np990092+ | Unchecked | 2 |
| 10514305 | 10.1021/np990092+ | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 11000021 | 10.1021/np0001023 | Epidermophyton floccosum | 1 |
| 11000021 | 10.1021/np0001023 | Trichophyton rubrum | 1 |
| 11000021 | 10.1021/np0001023 | Trichophyton interdigitale | 1 |
| 11000021 | 10.1021/np0001023 | Neoscytalidium dimidiatum | 1 |
| 11000021 | 10.1021/np0001023 | Scopulariopsis brevicaulis | 1 |
| 11000021 | 10.1021/np0001023 | Saccharomyces cerevisiae | 1 |
| 11000021 | 10.1021/np0001023 | Penicillium chrysogenum | 1 |
| 11000021 | 10.1021/np0001023 | Candida albicans | 1 |
| 11000021 | 10.1021/np0001023 | Aspergillus niger | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine