Compound Detail
CHEMBL4100035
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
Basic Information
| ChEMBL ID | CHEMBL4100035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBIDJPGMCDGKLG-BIZUNTBRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
5.50
ALogP
5
HBA
3
HBD
94.4
PSA (Ų)
0.14
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.54 | 8.405 | 2.9 | 2 |
| HepG2 CHEMBL395 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2.9 | nM | 8.54 | Antispasmodial activity against chloroquine-sensitive asexual blood stages of Pl... | 28653845 |
| Plasmodium falciparum | IC50 | = | 5.4 | nM | 8.27 | Antispasmodial activity against multidrug-resistant asexual blood stages of Plas... | 28653845 |
| HepG2 | IC50 | = | 8400.0 | nM | 5.08 | Cytotoxicity against human HepG2 cells by CellTiterGlo assay | 28653845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28653845 | 10.1021/acs.jmedchem.7b00140 | Plasmodium berghei | 6 |
| 28653845 | 10.1021/acs.jmedchem.7b00140 | Mus musculus | 2 |
| 28653845 | 10.1021/acs.jmedchem.7b00140 | Plasmodium falciparum | 2 |
| 28653845 | 10.1021/acs.jmedchem.7b00140 | HepG2 | 1 |
| 28653845 | 10.1021/acs.jmedchem.7b00140 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine