Compound Detail
CHEMBL140673
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(OC(C)=O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24
Basic Information
| ChEMBL ID | CHEMBL140673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDBJNNBVIRSCJN-PWMDHOHUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
522.5
MW (Da)
-0.42
ALogP
12
HBA
2
HBD
172.0
PSA (Ų)
0.36
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.41 | 7.41 | 39.0 | 2 |
| FM3A CHEMBL614297 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 39.0 | nM | 7.41 | Anti-malarial activity as growth inhibition of chloroquine-resistant Plasmodium ... | 9871598 |
| Plasmodium falciparum | EC50 | = | 39.0 | nM | 7.41 | In vitro antimalarial activity against Plasmodium falciparum | 12570385 |
| FM3A | EC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against FM3A cells derived from a mammary tumor in mice was evaluat... | 9871598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12570385 | 10.1021/jm0201971 | Mus musculus | 3 |
| 9871598 | 10.1016/s0960-894x(98)00045-6 | FM3A | 2 |
| 9871598 | 10.1016/s0960-894x(98)00045-6 | Plasmodium falciparum | 1 |
| 12570385 | 10.1021/jm0201971 | Plasmodium falciparum | 1 |
| 12570385 | 10.1021/jm0201971 | FM3A | 1 |
| 12570385 | 10.1021/jm0201971 | Unchecked | 1 |
| 12570385 | 10.1021/jm0201971 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine