Compound Detail
CHEMBL1835290
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Basic Information
| ChEMBL ID | CHEMBL1835290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAPVYMQXIBUADC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.08
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.8 | 5.8 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 1600.0 | nM | 5.8 | Antimalarial activity against Plasmodium falciparum 3D7 infected in O-positive h... | 21889338 |
| Plasmodium falciparum | IC50 | = | 1600.0 | nM | 5.8 | Antimalarial activity against Plasmodium falciparum 3D7 infected in O positive e... | 23659857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21889338 | 10.1016/j.bmcl.2011.07.088 | Plasmodium falciparum | 1 |
| 23659857 | 10.1016/j.bmcl.2013.04.026 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine