Compound Detail
CHEMBL2325789
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Basic Information
| ChEMBL ID | CHEMBL2325789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFVSIJGIJWEDMZ-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
395.8
MW (Da)
4.90
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei gambiense CHEMBL613768 | EC50 | 6.25 | 6.0833 | 560.0 | 3 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Raji CHEMBL614628 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei gambiense | EC50 | = | 560.0 | nM | 6.25 | Antitrypanosomal activity against Trypanosoma brucei gambiense STIB930 after 70 ... | 23484493 |
| Trypanosoma brucei gambiense | EC50 | = | 630.0 | nM | 6.2 | Antitrypanosomal activity against Trypanosoma brucei gambiense KO48 after 70 hrs... | 23484493 |
| Trypanosoma brucei rhodesiense | EC50 | = | 1500.0 | nM | 5.82 | Antitrypanosomal activity against bloodstream forms of wild type Trypanosoma bru... | 23484493 |
| Trypanosoma brucei gambiense | EC50 | = | 1600.0 | nM | 5.8 | Antitrypanosomal activity against Trypanosoma brucei gambiense DAL 898R after 70... | 23484493 |
| Trypanosoma brucei brucei | EC50 | = | 2500.0 | nM | 5.6 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
| HEK293 | EC50 | = | 8300.0 | nM | 5.08 | Cytotoxicity against HEK293 cells after 72 hrs by Cell Titre Glo assay | 23484493 |
| Raji | EC50 | = | 13000.0 | nM | 4.89 | Cytotoxicity against human Raji cells after 72 hrs by Cell Titre Glo assay | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei gambiense | 3 |
| 23484493 | 10.1021/jm301687p | No relevant target | 1 |
| 23484493 | 10.1021/jm301687p | ADMET | 1 |
| 23484493 | 10.1021/jm301687p | Raji | 1 |
| 23484493 | 10.1021/jm301687p | HEK293 | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei brucei | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei rhodesiense | 1 |
| 23484493 | 10.1021/jm301687p | BJ | 1 |
| 23484493 | 10.1021/jm301687p | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine