Compound Detail
CHEMBL4555605
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
COc1cc(NC(C)CCCNCc2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)cc2)c2ncccc2c1
Basic Information
| ChEMBL ID | CHEMBL4555605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMUWMAAXVZWHMR-QTPKWBOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
645.8
MW (Da)
7.34
ALogP
9
HBA
2
HBD
92.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.95 | 6.95 | 112.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 112.5 | nM | 6.95 | Antiparasitic activity against Plasmodium falciparum W2 | 31525705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31525705 | 10.1016/j.ejmech.2019.05.043 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine