Compound Detail
CHEMBL46736
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Basic Information
| ChEMBL ID | CHEMBL46736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUOLBGQZIPWNBE-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
5.01
ALogP
5
HBA
1
HBD
44.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.19 | 7.01 | 64.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 64.6 | nM | 7.19 | In vitro growth inhibition of Plasmodium falciparum F32 | 11356101 |
| Plasmodium falciparum | IC50 | = | 74.5 | nM | 7.13 | In vitro growth inhibition of Plasmodium falciparum D6 | 11356101 |
| Plasmodium falciparum | IC50 | = | 112.8 | nM | 6.95 | In vitro growth inhibition of Plasmodium falciparum FcB1R | 11356101 |
| Plasmodium falciparum | IC50 | = | 170.1 | nM | 6.77 | In vitro growth inhibition of Plasmodium falciparum W2 | 11356101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356101 | 10.1021/jm001096a | Plasmodium falciparum | 4 |
| 11356101 | 10.1021/jm001096a | MRC5 | 4 |
| 11356101 | 10.1021/jm001096a | ADMET | 3 |
| 11356101 | 10.1021/jm001096a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine