Compound Detail
CHEMBL399202
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Basic Information
| ChEMBL ID | CHEMBL399202 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBGMZUWJZRPJOQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.05
ALogP
6
HBA
2
HBD
75.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.1 | 4.1 | 78900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.0 | nM | 8.4 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 | 17948982 |
| Trypanosoma brucei rhodesiense | IC50 | = | 31.0 | nM | 7.51 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 17948982 |
| Leishmania donovani | IC50 | = | 13200.0 | nM | 4.88 | Antitrypanosomal activity against Leishmania donovani (MHOM/SD/62/1S-CL2D) axeni... | 17948982 |
| L6 | IC50 | = | 78900.0 | nM | 4.1 | Cytotoxicity against rat L6 cells | 17948982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17948982 | 10.1021/jm0708634 | Unchecked | 4 |
| 17948982 | 10.1021/jm0708634 | L6 | 1 |
| 17948982 | 10.1021/jm0708634 | Trypanosoma brucei rhodesiense | 1 |
| 17948982 | 10.1021/jm0708634 | Plasmodium falciparum | 1 |
| 17948982 | 10.1021/jm0708634 | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine