Compound Detail
CHEMBL497528
MANOLIDE Enter ChEMBL ID:
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CC1=C(CC/C(C)=C/CCC2=CC[C@H](C3=CC(=O)OC3O)O[C@@H]2O)C(C)(C)CCC1
Basic Information
| ChEMBL ID | CHEMBL497528 |
| Name | MANOLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGJIDQWRRLDGDB-GFOLISOJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
4.86
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.265 | 3900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of human synovial sPLA2 | 10757711 |
| Unchecked | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of bee venom sPLA2 | 10757711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10757711 | 10.1021/np990374+ | Unchecked | 7 |
Data from ChEMBL 36 via Core Engine