Compound Detail
CHEMBL2325795
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Basic Information
| ChEMBL ID | CHEMBL2325795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFKSEYZGJZFTDG-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
3
PK Parameters
15
Publications
0
Known Names
Molecular Properties
409.9
MW (Da)
5.78
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.0 | 6.86 | 100.0 | 2 |
| Trypanosoma brucei gambiense CHEMBL613768 | EC50 | 6.96 | 6.81 | 110.0 | 3 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 0.18 | hr | Mus musculus |
| T1/2 | 0.1833 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 100.0 | nM | 7.0 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 assessed as inhi... | 38363074 |
| Trypanosoma brucei gambiense | EC50 | = | 110.0 | nM | 6.96 | Antitrypanosomal activity against Trypanosoma brucei gambiense STIB930 after 70 ... | 23484493 |
| Trypanosoma brucei rhodesiense | EC50 | = | 160.0 | nM | 6.8 | Antitrypanosomal activity against bloodstream forms of wild type Trypanosoma bru... | 23484493 |
| Trypanosoma brucei gambiense | EC50 | = | 170.0 | nM | 6.77 | Antitrypanosomal activity against Trypanosoma brucei gambiense KO48 after 70 hrs... | 23484493 |
| Trypanosoma brucei brucei | EC50 | = | 190.0 | nM | 6.72 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
| Trypanosoma brucei gambiense | EC50 | = | 200.0 | nM | 6.7 | Antitrypanosomal activity against Trypanosoma brucei gambiense DAL 898R after 70... | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei gambiense | 3 |
| 23484493 | 10.1021/jm301687p | ADMET | 2 |
| 23484493 | 10.1021/jm301687p | No relevant target | 2 |
| 23484493 | 10.1021/jm301687p | Liver microsomes | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei brucei | 1 |
| 23484493 | 10.1021/jm301687p | Liver | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei rhodesiense | 1 |
| 23484493 | 10.1021/jm301687p | BJ | 1 |
| 23484493 | 10.1021/jm301687p | Raji | 1 |
| 23484493 | 10.1021/jm301687p | HepG2 | 1 |
| 23484493 | 10.1021/jm301687p | HEK293 | 1 |
| 38363074 | 10.1021/acs.jmedchem.3c01680 | Trypanosoma brucei brucei | 1 |
| 38363074 | 10.1021/acs.jmedchem.3c01680 | BJ | 1 |
| 38363074 | 10.1021/acs.jmedchem.3c01680 | ADMET | 1 |
| 38363074 | 10.1021/acs.jmedchem.3c01680 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine