Compound Detail
CHEMBL140959
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CCCCCC(=O)OC1=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](O)[C@H]4[C@]5(C(=O)OC)OC[C@]34[C@H]([C@@H](O)[C@@H]5O)[C@@]2(C)CC1=O
Basic Information
| ChEMBL ID | CHEMBL140959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPQKZBPJBJFVNQ-ZMTGBOOLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
0.57
ALogP
11
HBA
3
HBD
165.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| FM3A CHEMBL614297 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 1000.0 | nM | 6.0 | Anti-malarial activity as growth inhibition of chloroquine-resistant Plasmodium ... | 9871598 |
| FM3A | EC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against FM3A cells derived from a mammary tumor in mice was evaluat... | 9871598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871598 | 10.1016/s0960-894x(98)00045-6 | Plasmodium falciparum | 1 |
| 9871598 | 10.1016/s0960-894x(98)00045-6 | FM3A | 1 |
Data from ChEMBL 36 via Core Engine