Compound Detail
CHEMBL302245
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Basic Information
| ChEMBL ID | CHEMBL302245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSNQVABHABAKEZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
4.96
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.68 | 4.68 | 21100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 21100.0 | nM | 4.68 | Antileishmanial activity against promastigote stage of Leishmania amazonensis WH... | 25461316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25461316 | 10.1016/j.ejmech.2014.11.018 | ADMET | 5 |
| 25461316 | 10.1016/j.ejmech.2014.11.018 | Trypanosoma cruzi | 2 |
| 8667360 | 10.1021/jm950727b | Platelet-derived growth factor receptor | 1 |
| 25128670 | 10.1016/j.ejmech.2014.08.034 | Human immunodeficiency virus 1 | 1 |
| 25128670 | 10.1016/j.ejmech.2014.08.034 | MT4 | 1 |
| 25461316 | 10.1016/j.ejmech.2014.11.018 | Leishmania amazonensis | 1 |
| 30071408 | 10.1016/j.ejmech.2018.07.061 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 30071408 | 10.1016/j.ejmech.2018.07.061 | HCT-116 | 1 |
| 30071408 | 10.1016/j.ejmech.2018.07.061 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine