Compound Detail
CHEMBL4751906
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 | CHEMBL4751906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZARRNDYUHLJYAS-WEVVVXLNSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
5.17
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.65
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.32 | 7.075 | 4.8 | 4 |
| HepG2 CHEMBL395 | EC50 | 5.27 | 5.27 | 5331.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.1 | mL.min-1.g-1 | Mus musculus |
| T1/2 | 0.92 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 4.8 | nM | 8.32 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 32959656 |
| Plasmodium falciparum | EC50 | = | 8.7 | nM | 8.06 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 32959656 |
| Plasmodium falciparum | EC50 | = | 590.7 | nM | 6.23 | Antiplasmodial activity against synchronous gametocyte early stage of Plasmodium... | 32959656 |
| Plasmodium falciparum | EC50 | = | 2049.3 | nM | 5.69 | Antiplasmodial activity against synchronous gametocyte late stage of Plasmodium ... | 32959656 |
| HepG2 | EC50 | = | 5331.6 | nM | 5.27 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... | 32959656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32959656 | 10.1021/acs.jmedchem.0c00858 | Plasmodium falciparum | 8 |
| 32959656 | 10.1021/acs.jmedchem.0c00858 | ADMET | 3 |
| 32959656 | 10.1021/acs.jmedchem.0c00858 | Unchecked | 2 |
| 32959656 | 10.1021/acs.jmedchem.0c00858 | Plasmodium berghei | 2 |
| 32959656 | 10.1021/acs.jmedchem.0c00858 | HepG2 | 1 |
| 32959656 | 10.1021/acs.jmedchem.0c00858 | Hemozoin | 1 |
Data from ChEMBL 36 via Core Engine