Compound Detail
CHEMBL589610
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Basic Information
| ChEMBL ID | CHEMBL589610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROKRINPAINFXQK-QPJJXVBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
3.14
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 4.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 11800.0 | nM | 4.93 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 amast... | 19962891 |
| ADMET | IC50 | = | 28800.0 | nM | 4.54 | 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 | ADMET | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Leishmania amazonensis | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine