Compound Detail
CHEMBL394652
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Basic Information
| ChEMBL ID | CHEMBL394652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHRKAQCBQGWRLC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
4.05
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.75 | 5.17 | 1800.0 | 2 |
| Leishmania donovani CHEMBL367 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.26 | 4.26 | 54600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 1800.0 | nM | 5.75 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 in procycl... | 17949068 |
| Leishmania donovani | IC50 | = | 4600.0 | nM | 5.34 | Antiparasitic activity against Leishmania donovani MHOM-ET-67/L82 in amastigotes... | 17949068 |
| Trypanosoma brucei rhodesiense | IC50 | = | 25800.0 | nM | 4.59 | Antiparasitic activity against Trypanosoma brucei rhodesiense STIB900 in blood | 17949068 |
| Trypanosoma cruzi | IC50 | = | 54600.0 | nM | 4.26 | Antiparasitic activity against Trypanosoma cruzi Tulahuen T4 in amastigotes stag... | 17949068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17949068 | 10.1021/jm700938n | Trypanosoma brucei rhodesiense | 2 |
| 17949068 | 10.1021/jm700938n | Trypanosoma cruzi | 1 |
| 17949068 | 10.1021/jm700938n | Leishmania donovani | 1 |
| 17949068 | 10.1021/jm700938n | Plasmodium falciparum | 1 |
| 17949068 | 10.1021/jm700938n | L6 | 1 |
Data from ChEMBL 36 via Core Engine