Compound Detail
CHEMBL2401892
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Basic Information
| ChEMBL ID | CHEMBL2401892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQQCHMWIHSHKRW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
11
Publications
0
Known Names
Molecular Properties
383.8
MW (Da)
5.40
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 7.75 | 7.75 | 18.0 | 1 |
| Trypanosoma brucei gambiense CHEMBL613768 | EC50 | 7.42 | 7.42 | 38.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.0 | hr | Mus musculus |
| T1/2 | 4.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | EC50 | = | 18.0 | nM | 7.75 | Antitrypanosomal activity against wild type Trypanosoma brucei rhodesiense STIB9... | 23746473 |
| Trypanosoma brucei gambiense | EC50 | = | 38.0 | nM | 7.42 | Antitrypanosomal activity against Trypanosoma brucei gambiense STIB930 assessed ... | 23746473 |
| Trypanosoma brucei brucei | EC50 | = | 120.0 | nM | 6.92 | Antitrypanosomal activity against Trypanosoma brucei brucei assessed as parasite... | 23746473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Liver | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Liver microsomes | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | BJ | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Raji | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | HepG2 | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | HEK293 | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | ADMET | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Trypanosoma brucei brucei | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | No relevant target | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Trypanosoma brucei gambiense | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine