Compound Detail
CHEMBL140331
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CCCCCCCCCC(=O)OC1=C(C)[C@@H]2C[C@H]3OC(=O)[C@H](OC(=O)CCCCCCCCC)[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 | CHEMBL140331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKRQMVOXYJUZLA-PPUVXENSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
746.9
MW (Da)
5.82
ALogP
12
HBA
2
HBD
172.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.41 | 6.41 | 390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 390.0 | nM | 6.41 | Anti-malarial activity as growth inhibition of chloroquine-resistant Plasmodium ... | 9871598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871598 | 10.1016/s0960-894x(98)00045-6 | FM3A | 2 |
| 9871598 | 10.1016/s0960-894x(98)00045-6 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine