Compound Detail
CHEMBL480300
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 | CHEMBL480300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSUJQJWJDDNYHJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
2.69
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.13 | 5.13 | 7470.0 | 1 |
| Calcium-activated potassium channel subunit alpha-1 CHEMBL4304 | IC50 | 4.96 | 4.96 | 10964.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 7470.0 | nM | 5.13 | Antileishmanial activity against Leishmania donovani amastigotes infected in J77... | 36565533 |
| Calcium-activated potassium channel subunit alpha-1 | IC50 | = | 10964.78 | nM | 4.96 | Activation of BK channel-mediated vasorelaxation activity assessed as reduction ... | 19026552 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36565533 | 10.1016/j.ejmech.2022.114996 | ADMET | 2 |
| 19026552 | 10.1016/j.bmc.2008.10.068 | Calcium-activated potassium channel subunit alpha-1 | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | Leishmania donovani | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | J774.A1 | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | Vero | 1 |
Data from ChEMBL 36 via Core Engine