Compound Detail
CHEMBL2322976
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2322976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXYILCAQZGRHFP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
11
Publications
0
Known Names
Molecular Properties
427.8
MW (Da)
5.92
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei gambiense CHEMBL613768 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 7.16 | 7.16 | 69.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| t1/2 | - | - | Mus musculus |
| t1/2 | - | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei gambiense | EC50 | = | 63.0 | nM | 7.2 | Antitrypanosomal activity against Trypanosoma brucei gambiense STIB930 after 70 ... | 23484493 |
| Trypanosoma brucei rhodesiense | EC50 | = | 69.0 | nM | 7.16 | Antitrypanosomal activity against bloodstream forms of wild type Trypanosoma bru... | 23484493 |
| Trypanosoma brucei brucei | EC50 | = | 250.0 | nM | 6.6 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484493 | 10.1021/jm301687p | Liver | 1 |
| 23484493 | 10.1021/jm301687p | Liver microsomes | 1 |
| 23484493 | 10.1021/jm301687p | ADMET | 1 |
| 23484493 | 10.1021/jm301687p | No relevant target | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei brucei | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei rhodesiense | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei gambiense | 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 |
Data from ChEMBL 36 via Core Engine