Compound Detail
CHEMBL42451
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Basic Information
| ChEMBL ID | CHEMBL42451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSKKLQXQUNMGNI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
469.4
MW (Da)
4.87
ALogP
6
HBA
3
HBD
79.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.22 | 6.22 | 605.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.91 | 4.91 | 12310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 605.7 | nM | 6.22 | In vitro growth inhibition of Plasmodium falciparum FcB1R | 11356101 |
| Unchecked | IC50 | = | 12310.0 | nM | 4.91 | Cytotoxicity against human A375P cells incubated for 72 hrs by MTT assay | 34298133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34298133 | 10.1016/j.bmcl.2021.128272 | Unchecked | 6 |
| 11356101 | 10.1021/jm001096a | MRC5 | 4 |
| 11356101 | 10.1021/jm001096a | ADMET | 3 |
| 11356101 | 10.1021/jm001096a | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine