Compound Detail
CHEMBL285099
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Basic Information
| ChEMBL ID | CHEMBL285099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHDVSHLQKVCXLN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.9
MW (Da)
5.32
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.43 | 7.3567 | 37.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 37.0 | nM | 7.43 | Antimalarial activity against Plasmodium falciparum T9-96 | 8176713 |
| Plasmodium falciparum | IC50 | = | 42.0 | nM | 7.38 | Antimalarial activity against Plasmodium falciparum K1 | 8176713 |
| Plasmodium falciparum | IC50 | = | 55.2 | nM | 7.26 | In vitro inhibition of chloroquine-sensitive Plasmodium falciparum HB3 | 9046333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8176713 | 10.1021/jm00035a017 | Plasmodium falciparum | 2 |
| 9046333 | 10.1021/jm960370r | Plasmodium falciparum | 1 |
| 9046333 | 10.1021/jm960370r | Molecular identity unknown | 1 |
| 8176713 | 10.1021/jm00035a017 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine