Compound Detail
CHEMBL4634377
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Basic Information
| ChEMBL ID | CHEMBL4634377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKBZBWRRXCXJDA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
435.8
MW (Da)
6.03
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.43 | 8.99 | 0.4 | 5 |
| Plasmodium berghei CHEMBL612653 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.37 | nM | 9.43 | Antimalarial activity against multidrug resistant Plasmodium falciparum D6 infec... | 32390431 |
| Plasmodium falciparum | IC50 | = | 0.58 | nM | 9.24 | Antimalarial activity against multidrug resistant Plasmodium falciparum Tm90-C2B... | 32390431 |
| Plasmodium falciparum | IC50 | = | 0.83 | nM | 9.08 | Antimalarial activity against multidrug resistant Plasmodium falciparum Dd2 infe... | 32390431 |
| Plasmodium falciparum | IC50 | = | 1.61 | nM | 8.79 | Antimalarial activity against multidrug resistant Plasmodium falciparum 7G8 infe... | 32390431 |
| Plasmodium berghei | IC50 | = | 2.2 | nM | 8.66 | Antimalarial activity against luciferase-expressing Plasmodium berghei ANKA 676m... | 32390431 |
| Plasmodium falciparum | IC50 | = | 3.9 | nM | 8.41 | Antimalarial activity against Plasmodium falciparum clinical isolates measured a... | 32390431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32390431 | 10.1021/acs.jmedchem.0c00539 | Plasmodium falciparum | 5 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | Plasmodium berghei | 5 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | Plasmodium yoelii | 2 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | ADMET | 2 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | HepG2 | 1 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | Unchecked | 1 |
| 32390431 | 10.1021/acs.jmedchem.0c00539 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine