Compound Detail
CHEMBL593899
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 | CHEMBL593899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKMLJGLXRDIUIP-BQYQJAHWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.31
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
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 amazonensis CHEMBL612877 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.78 | 4.78 | 16500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 7400.0 | nM | 5.13 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 amast... | 19962891 |
| ADMET | IC50 | = | 16500.0 | nM | 4.78 | Toxicity against BALB/c mouse macrophage by MTT assay | 19962891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Unchecked | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | ADMET | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Leishmania amazonensis | 1 |
| 25629304 | 10.1021/jm5016507 | HeLa | 1 |
| 25629304 | 10.1021/jm5016507 | A549 | 1 |
| 25629304 | 10.1021/jm5016507 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine