Compound Detail
CHEMBL4078793
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
Cc1c(O)c(C(=O)CCc2ccccc2)c2c(c1O)[C@@H]1C3=C(O[C@]1(C(C)C)O2)C(C)(C)C(=O)C(C)(C)C3=O
Basic Information
| ChEMBL ID | CHEMBL4078793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXVVPESKJRXAFC-UVDDSOTQSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
5.54
ALogP
7
HBA
2
HBD
110.1
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.54 | 6.358 | 290.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 290.0 | nM | 6.54 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 | 28400231 |
| Plasmodium falciparum | IC50 | = | 300.0 | nM | 6.52 | Antiparasitic activity against chloroquine-resistant Plasmodium falciparum | 28128559 |
| Plasmodium falciparum | IC50 | = | 400.0 | nM | 6.4 | Antiparasitic activity against chloroquine-sensitive Plasmodium falciparum | 28128559 |
| Plasmodium falciparum | IC50 | = | 440.0 | nM | 6.36 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 | 28400231 |
| Plasmodium falciparum | IC50 | = | 1070.0 | nM | 5.97 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 28400231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28400231 | 10.1016/j.bmcl.2017.03.065 | Plasmodium falciparum | 3 |
| 28128559 | 10.1021/acs.jmedchem.6b01395 | Plasmodium falciparum | 2 |
| 28400231 | 10.1016/j.bmcl.2017.03.065 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine