Compound Detail
CHEMBL495103
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Basic Information
| ChEMBL ID | CHEMBL495103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTNGZPSWCUHNHO-DHZHZOJOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
4.63
ALogP
6
HBA
0
HBD
87.9
PSA (Ų)
0.18
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 4100.0 | nM | 5.39 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen C4 in african green... | 18798609 |
| Leishmania amazonensis | IC50 | = | 8300.0 | nM | 5.08 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 amast... | 19962891 |
| Vero | IC50 | = | 12600.0 | nM | 4.9 | Cytotoxicity against african green monkey Vero cells by MTT assay | 18798609 |
| ADMET | IC50 | = | 13200.0 | nM | 4.88 | Toxicity against BALB/c mouse macrophage by MTT assay | 19962891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18798609 | 10.1021/jm800812k | Trypanosoma cruzi | 1 |
| 18798609 | 10.1021/jm800812k | Unchecked | 1 |
| 18798609 | 10.1021/jm800812k | Vero | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine