Compound Detail
CHEMBL485573
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Basic Information
| ChEMBL ID | CHEMBL485573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCQCRVBHBNNPAY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.21
ALogP
7
HBA
4
HBD
102.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 10.0 | nM | 8.0 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB 900 bloods... | 18841956 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | 18841956 |
| Leishmania donovani | IC50 | = | 16000.0 | nM | 4.8 | Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D axenic a... | 18841956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18841956 | 10.1021/jm800918v | Trypanosoma brucei rhodesiense | 3 |
| 18841956 | 10.1021/jm800918v | Unchecked | 3 |
| 18841956 | 10.1021/jm800918v | L6 | 1 |
| 18841956 | 10.1021/jm800918v | Plasmodium falciparum | 1 |
| 18841956 | 10.1021/jm800918v | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine