Compound Detail
CHEMBL467809
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Basic Information
| ChEMBL ID | CHEMBL467809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XROLUQWWPXRCJD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
369.9
MW (Da)
5.11
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.37 | 8.17 | 4.3 | 3 |
| Botulinum neurotoxin type A CHEMBL5192 | IC50 | 4.72 | 4.72 | 18920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.26 | nM | 8.37 | Antimalarial activity against chloroquine,mefloquine-sensitive Plasmodium falcip... | 18637666 |
| Plasmodium falciparum | IC50 | = | 8.4 | nM | 8.08 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 | 18637666 |
| Plasmodium falciparum | IC50 | = | 8.73 | nM | 8.06 | Antimalarial activity against multidrug-resistant Plasmodium falciparum TM91C235 | 18637666 |
| Botulinum neurotoxin type A | IC50 | = | 18920.0 | nM | 4.72 | Inhibition of Clostridium botulinum neurotoxin serotype A light chain metallopro... | 18637666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18637666 | 10.1021/jm800737y | Plasmodium falciparum | 6 |
| 26640981 | 10.1021/acs.jmedchem.5b01374 | Plasmodium berghei | 4 |
| 18637666 | 10.1021/jm800737y | Unchecked | 2 |
| 18637666 | 10.1021/jm800737y | Botulinum neurotoxin type A | 1 |
| 26640981 | 10.1021/acs.jmedchem.5b01374 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine