Compound Detail
CHEMBL4166871
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Basic Information
| ChEMBL ID | CHEMBL4166871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWHRAEICLLPTBE-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
6.25
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.71
IC50 2 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | EC50 | 4.71 | 4.71 | 19600.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.25 | 4.25 | 56160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | EC50 | = | 19600.0 | nM | 4.71 | Antileishmanial activity against Leishmania donovani MHOM/IN/AG/83 amastigotes i... | 28826085 |
| Leishmania donovani | IC50 | = | 56160.0 | nM | 4.25 | Antileishmanial activity against Leishmania donovani MHOM/IN/AG/83 promastigotes... | 28826085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28826085 | 10.1016/j.ejmech.2017.08.030 | Peritoneal macrophage | 3 |
| 28826085 | 10.1016/j.ejmech.2017.08.030 | Leishmania donovani | 2 |
| 28826085 | 10.1016/j.ejmech.2017.08.030 | ADMET | 2 |
| 28826085 | 10.1016/j.ejmech.2017.08.030 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine