Compound Detail
CHEMBL3309537
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3309537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOLYWOUGECUGPI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
6.29
ALogP
2
HBA
1
HBD
49.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 4.12 | 4.1 | 75300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 75300.0 | nM | 4.12 | Antimicrobial activity against promastigote stage of Leishmania donovani after 7... | 24980054 |
| Leishmania donovani | IC50 | = | 83400.0 | nM | 4.08 | 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 |
Data from ChEMBL 36 via Core Engine