Compound Detail
CHEMBL3914732
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Basic Information
| ChEMBL ID | CHEMBL3914732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKZRDZSTKOFPLQ-YWEYNIOJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
274.1
MW (Da)
3.32
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 4.63 | 4.63 | 23450.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.18 | 4.18 | 65690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 23450.0 | nM | 4.63 | Antileishmanial activity against Leishmania infantum MHOM/BR/74/PP75 strain prom... | 36493616 |
| Leishmania braziliensis | IC50 | = | 65690.0 | nM | 4.18 | Antileishmanial activity against Leishmania braziliensis MHOM/BR/75/M2903 strain... | 36493616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108947 | 10.1039/C7MD00600D | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 36493616 | 10.1016/j.ejmech.2022.115002 | ADMET | 2 |
| 27517809 | 10.1016/j.ejmech.2016.07.060 | Pteridine reductase 1 | 1 |
| 36493616 | 10.1016/j.ejmech.2022.115002 | Leishmania braziliensis | 1 |
| 36493616 | 10.1016/j.ejmech.2022.115002 | Leishmania infantum | 1 |
Data from ChEMBL 36 via Core Engine