Compound Detail
CHEMBL4934170
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
CCC(C(=O)Nc1ccc2c(c1)CN(CCc1ccc(OC)c(OC)c1)C(=O)C(C)O2)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4934170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGAMNHDOMAILCM-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
5.19
ALogP
5
HBA
1
HBD
77.1
PSA (Ų)
0.44
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.54 | 5.965 | 288.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 288.4 | nM | 6.54 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 912.0 | nM | 6.04 | Hit confirmation in dose-response curve in NF54 nanoGlo assay, at 12h | - |
| Plasmodium falciparum | IC50 | = | 1820.0 | nM | 5.74 | Hit confirmation in dose-response curve in Dd2 pLDH assay, at 72h | - |
| Plasmodium falciparum | IC50 | = | 2880.0 | nM | 5.54 | Hit confirmation in dose-response curve in NF54 pLDH assay, at 72h | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 8 |
| - | 10.6019/CHEMBL4888484 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine