Compound Detail
CHEMBL3601863
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
C[C@H]1[C@@H](CCCO)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
Basic Information
| ChEMBL ID | CHEMBL3601863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAJSYLWSYBXRPS-VMAIWCPRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.01
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.94 | 7.94 | 11.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11.6 | nM | 7.94 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 26260339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26260339 | 10.1016/j.bmc.2015.07.048 | Plasmodium falciparum | 1 |
| 26260339 | 10.1016/j.bmc.2015.07.048 | NON-PROTEIN TARGET | 1 |
| 26260339 | 10.1016/j.bmc.2015.07.048 | CCRF-CEM | 1 |
| 28456567 | 10.1016/j.bmc.2017.04.021 | CCRF-CEM | 1 |
| 28456567 | 10.1016/j.bmc.2017.04.021 | ADR5000 cell line | 1 |
Data from ChEMBL 36 via Core Engine