Compound Detail
CHEMBL3633313
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Basic Information
| ChEMBL ID | CHEMBL3633313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYKCNTYUSMNXKW-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.3
MW (Da)
1.55
ALogP
7
HBA
0
HBD
97.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.22 | 6.22 | 596.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.07 | 5.2333 | 850.0 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 5.73 | 5.73 | 1878.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.38 | 5.38 | 4219.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 596.0 | nM | 6.22 | Antichagasic activity against amastigote forms of Trypanosoma cruzi Tulahuen C4 ... | 26363868 |
| Trypanosoma brucei brucei | IC50 | = | 850.0 | nM | 6.07 | Antimicrobial activity against bloodstream forms of Trypanosoma brucei brucei ov... | 26363868 |
| Leishmania donovani | IC50 | = | 1878.0 | nM | 5.73 | Antileishmanial activity against axenic amastigote forms of Leishmania donovani ... | 26363868 |
| Trypanosoma brucei rhodesiense | IC50 | = | 4219.0 | nM | 5.38 | Antitrypanosomal activity against bloodstream trypomastigote forms of Trypanosom... | 26363868 |
| Trypanosoma brucei brucei | IC50 | = | 13620.0 | nM | 4.87 | Antimicrobial activity against bloodstream forms of Trypanosoma brucei brucei ov... | 26363868 |
| Trypanosoma brucei brucei | IC50 | = | 17530.0 | nM | 4.76 | Antimicrobial activity against bloodstream forms of Trypanosoma brucei brucei as... | 26363868 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Unchecked | 5 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Trypanosoma brucei brucei | 4 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Trypanosoma cruzi | 1 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Trypanosoma brucei rhodesiense | 1 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | Leishmania donovani | 1 |
| 26363868 | 10.1016/j.ejmech.2015.08.042 | L6 | 1 |
Data from ChEMBL 36 via Core Engine