Compound Detail
CHEMBL4060470
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Basic Information
| ChEMBL ID | CHEMBL4060470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEZQFZRKKUMACL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
0.55
ALogP
4
HBA
4
HBD
110.2
PSA (Ų)
0.19
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania aethiopica CHEMBL612651 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania aethiopica | IC50 | = | 51.0 | nM | 7.29 | Antileishmanial activity against promastigote stage of Leishmania aethiopica ass... | 28087274 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28087274 | 10.1016/j.bmcl.2017.01.003 | Mus musculus | 9 |
| 28087274 | 10.1016/j.bmcl.2017.01.003 | Leishmania aethiopica | 2 |
Data from ChEMBL 36 via Core Engine