Compound Detail
CHEMBL3612096
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 | CHEMBL3612096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQFYRSFAHNTPSM-FMIVXFBMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
2.19
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania braziliensis CHEMBL612878 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania braziliensis | IC50 | = | 7500.0 | nM | 5.12 | Leishmanicidal activity against Leishmania braziliensis MHOM/BR/01/BA788 after 4... | 26107111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26107111 | 10.1016/j.ejmech.2015.06.014 | Leishmania braziliensis | 2 |
| 26107111 | 10.1016/j.ejmech.2015.06.014 | Leishmania amazonensis | 2 |
| 26107111 | 10.1016/j.ejmech.2015.06.014 | J774 | 1 |
Data from ChEMBL 36 via Core Engine