Compound Detail
CHEMBL601471
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Basic Information
| ChEMBL ID | CHEMBL601471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJQJQKBFZVYHDA-JXMROGBWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.89
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.89 | 5.405 | 1300.0 | 2 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 1300.0 | nM | 5.89 | Antileishmanial activity against Leishmania amazonensis MHOM/BR/76/LTB-012 amast... | 19962891 |
| Leishmania braziliensis | IC50 | = | 5200.0 | nM | 5.28 | Antileishmanial activity against Leishmania braziliensis MHOM/PE/PER006 promasti... | 19962891 |
| Leishmania amazonensis | IC50 | = | 12100.0 | nM | 4.92 | Antileishmanial activity against Leishmania amazonensis LMA CL1 amastigotes infe... | 19962891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Leishmania amazonensis | 5 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | ADMET | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Leishmania peruviana | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Leishmania braziliensis | 1 |
| 19962891 | 10.1016/j.bmcl.2009.11.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine