Compound Detail
CHEMBL3901047
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Basic Information
| ChEMBL ID | CHEMBL3901047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFWVJPHMMJGWKN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3991038 |
| Active Moiety | CHEMBL3991038 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
-0.22
ALogP
7
HBA
2
HBD
112.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
10
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 |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.63 | 4.615 | 23400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 23400.0 | nM | 4.63 | Antileishmanial against of Leishmania donovani LV9 intramacrophage amastigotes i... | 27793448 |
| NON-PROTEIN TARGET | IC50 | = | 25300.0 | nM | 4.6 | Antitrypanosomal against bloostream forms of Trypanosoma brucei gambiense FeoITM... | 27793448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27793448 | 10.1016/j.bmc.2016.10.013 | NON-PROTEIN TARGET | 3 |
| 27793448 | 10.1016/j.bmc.2016.10.013 | Unchecked | 2 |
| 27793448 | 10.1016/j.bmc.2016.10.013 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine