Compound Detail
CHEMBL4792510
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Basic Information
| ChEMBL ID | CHEMBL4792510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKLQCLRYNUPISX-XBXARRHUSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
4.86
ALogP
4
HBA
1
HBD
31.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.82 | 6.815 | 15.3 | 4 |
| HepG2 CHEMBL395 | EC50 | 5.5 | 5.5 | 3195.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 23.0 | mL.min-1.g-1 | Mus musculus |
| T1/2 | 1.005 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 15.3 | nM | 7.82 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 32959656 |
| Plasmodium falciparum | EC50 | = | 15.7 | nM | 7.8 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 32959656 |
| Plasmodium falciparum | EC50 | = | 909.9 | nM | 6.04 | Antiplasmodial activity against synchronous gametocyte early stage of Plasmodium... | 32959656 |
| Plasmodium falciparum | EC50 | = | 2495.7 | nM | 5.6 | Antiplasmodial activity against synchronous gametocyte late stage of Plasmodium ... | 32959656 |
| HepG2 | EC50 | = | 3195.2 | nM | 5.5 | 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 | 7 |
| 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