Compound Detail
CHEMBL2046927
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Basic Information
| ChEMBL ID | CHEMBL2046927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNHRYAKCOJSUIS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2078675 |
| Active Moiety | CHEMBL2078675 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.93
ALogP
6
HBA
0
HBD
73.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.24 | 4.24 | 57600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 10800.0 | nM | 4.97 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 by Alam... | 22738640 |
| L6 | IC50 | = | 57600.0 | nM | 4.24 | Cytotoxicity against rat L6 cells | 22738640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22738640 | 10.1016/j.bmcl.2012.06.004 | Unchecked | 1 |
| 22738640 | 10.1016/j.bmcl.2012.06.004 | L6 | 1 |
| 22738640 | 10.1016/j.bmcl.2012.06.004 | Trypanosoma brucei rhodesiense | 1 |
| 33556576 | 10.1016/j.bmcl.2021.127843 | Trichomonas vaginalis | 1 |
Data from ChEMBL 36 via Core Engine