Compound Detail
CHEMBL1945424
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Basic Information
| ChEMBL ID | CHEMBL1945424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAFLLJQYTFNDAU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
-1.50
ALogP
10
HBA
3
HBD
158.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 5.42 | 5.35 | 3800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 3800.0 | nM | 5.42 | Antitrypanosomal activity against wild type Trypanosoma brucei after 3 days by r... | 22264753 |
| Trypanosoma brucei | EC50 | = | 3800.0 | nM | 5.42 | Antitrypanosomal activity against P2/AT1 double knockout Trypanosoma brucei afte... | 22264753 |
| Trypanosoma brucei | EC50 | = | 6200.0 | nM | 5.21 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei after ... | 22264753 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22264753 | 10.1016/j.bmc.2011.12.018 | Trypanosoma brucei | 4 |
| 22264753 | 10.1016/j.bmc.2011.12.018 | MRC5 | 1 |
| 22264753 | 10.1016/j.bmc.2011.12.018 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine