Compound Detail
CHEMBL142229
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COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(=O)/C=C/c5ccccc5)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(=O)/C=C/c1ccccc1)[C@@H]24
Basic Information
| ChEMBL ID | CHEMBL142229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCGWKEZBXYUUDC-UYFZAJFTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
698.7
MW (Da)
2.96
ALogP
12
HBA
2
HBD
172.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 82.0 | nM | 7.09 | 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