Compound Detail
CHEMBL3309543
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Basic Information
| ChEMBL ID | CHEMBL3309543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOIQAWOYXGHYDH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
6.03
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.8 | 4.445 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 11000.0 | nM | 4.96 | Antimicrobial activity against trypamastigote stage of Trypanosoma brucei after ... | 24980054 |
| Leishmania donovani | IC50 | = | 16000.0 | nM | 4.8 | Antimicrobial activity against promastigote stage of Leishmania donovani after 7... | 24980054 |
| Leishmania donovani | IC50 | = | 80400.0 | nM | 4.09 | Antimicrobial activity against axenic amastigote stage of Leishmania donovani af... | 24980054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24980054 | 10.1016/j.bmcl.2014.06.030 | Leishmania donovani | 6 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | Trypanosoma brucei | 2 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | THP-1 | 1 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | Vero | 1 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | HepG2 | 1 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | LLC-PK1 | 1 |
| 26560048 | 10.1016/j.ejmech.2015.10.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine