Compound Detail
CHEMBL4580370
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Basic Information
| ChEMBL ID | CHEMBL4580370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HABSPFOYVFRIOU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.8
MW (Da)
4.46
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 10.3 | 8.4075 | 0.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 0.05 | nM | 10.3 | Antiparasitic activity against Plasmodium falciparum D6 | 31525705 |
| Plasmodium falciparum | IC50 | = | 0.4 | nM | 9.4 | Antiparasitic activity against Plasmodium falciparum Dd2 | 31525705 |
| Plasmodium falciparum | IC50 | = | 81.0 | nM | 7.09 | Antiparasitic activity against Plasmodium falciparum Tm90 | 31525705 |
| Plasmodium falciparum | IC50 | = | 146.0 | nM | 6.84 | Antiparasitic activity against Plasmodium falciparum C2B | 31525705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31525705 | 10.1016/j.ejmech.2019.05.043 | Plasmodium falciparum | 4 |
Data from ChEMBL 36 via Core Engine