Compound Detail
CHEMBL2325788
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Basic Information
| ChEMBL ID | CHEMBL2325788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKPWDUOYCBTUPP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
377.8
MW (Da)
4.76
ALogP
5
HBA
1
HBD
85.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Raji CHEMBL614628 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.75 | 4.75 | 18000.0 | 1 |
| BJ CHEMBL614358 | EC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 3500.0 | nM | 5.46 | Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by ... | 23484493 |
| HEK293 | EC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against HEK293 cells after 72 hrs by Cell Titre Glo assay | 23484493 |
| Raji | EC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity against human Raji cells after 72 hrs by Cell Titre Glo assay | 23484493 |
| HepG2 | EC50 | = | 18000.0 | nM | 4.75 | Cytotoxicity against human HepG2 cells after 72 hrs by Cell Titre Glo assay | 23484493 |
| BJ | EC50 | = | 24000.0 | nM | 4.62 | Cytotoxicity against human BJ cells after 72 hrs by Cell Titre Glo assay | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23484493 | 10.1021/jm301687p | BJ | 1 |
| 23484493 | 10.1021/jm301687p | HepG2 | 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 | ADMET | 1 |
| 23484493 | 10.1021/jm301687p | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine