Compound Detail
CHEMBL2325798
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Basic Information
| ChEMBL ID | CHEMBL2325798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMYZUOVLWJQDRY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
392.8
MW (Da)
5.04
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | EC50 | 4.68 | 4.68 | 20700.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | EC50 | = | 20700.0 | nM | 4.68 | Cytotoxicity against human Raji cells after 72 hrs by Cell Titre Glo assay | 23484493 |
| Trypanosoma brucei brucei | EC50 | = | 26000.0 | nM | 4.58 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484493 | 10.1021/jm301687p | ADMET | 1 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei brucei | 1 |
| 23484493 | 10.1021/jm301687p | Raji | 1 |
| 23484493 | 10.1021/jm301687p | No relevant target | 1 |
| 23484493 | 10.1021/jm301687p | BJ | 1 |
| 23484493 | 10.1021/jm301687p | HepG2 | 1 |
| 23484493 | 10.1021/jm301687p | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine