Compound Detail
CHEMBL4078197
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
COc1c(C/C=C(\C)CCC=C(C)C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(C/C=C(\C)CCC=C(C)C)c1OC
Basic Information
| ChEMBL ID | CHEMBL4078197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWCKXIAVIUMNOV-WZGDJCGDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
648.8
MW (Da)
8.99
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.77 | 5.495 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1700.0 | nM | 5.77 | Antiplasmodial activity against intraerythrocytic stage of Plasmodium falciparum... | 27228055 |
| Plasmodium falciparum | IC50 | = | 6000.0 | nM | 5.22 | Antiplasmodial activity against Plasmodium falciparum FcB1/Columbia infected in ... | 27228055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27228055 | 10.1021/acs.jnatprod.6b00347 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine