Compound Detail
CHEMBL5081190
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=C(\C=C(C)\C=C\C=C\C=C(/C)C(=O)[C@H]1C(=O)N[C@]2(O)CCO[C@H]12)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5081190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYKNJRQEWJLADG-UXZOKNAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
1.81
ALogP
5
HBA
3
HBD
112.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.36 | 4.36 | 43900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 43900.0 | nM | 4.36 | Antimalarial activity against wild-type Plasmodium falcipuram 3D7 assessed as gr... | 34949088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34949088 | 10.1021/acs.jnatprod.1c00677 | HeLa | 1 |
| 34949088 | 10.1021/acs.jnatprod.1c00677 | HL-60 | 1 |
| 34949088 | 10.1021/acs.jnatprod.1c00677 | Staphylococcus aureus | 1 |
| 34949088 | 10.1021/acs.jnatprod.1c00677 | Escherichia coli | 1 |
| 34949088 | 10.1021/acs.jnatprod.1c00677 | Aspergillus fumigatus | 1 |
| 34949088 | 10.1021/acs.jnatprod.1c00677 | Pyricularia oryzae | 1 |
| 34949088 | 10.1021/acs.jnatprod.1c00677 | Candida albicans | 1 |
| 34949088 | 10.1021/acs.jnatprod.1c00677 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine