Compound Detail
CHEMBL2401910
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Basic Information
| ChEMBL ID | CHEMBL2401910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZKSGJLIUOALLC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
410.8
MW (Da)
5.17
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | EC50 | = | 8400.0 | nM | 5.08 | Cytotoxicity against human Raji cells assessed as growth inhibition after 72 hrs... | 23746473 |
| Trypanosoma brucei brucei | EC50 | = | 13000.0 | nM | 4.89 | Antitrypanosomal activity against Trypanosoma brucei brucei assessed as parasite... | 23746473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23746473 | 10.1016/j.bmcl.2013.05.049 | BJ | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | HepG2 | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | HEK293 | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | ADMET | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Trypanosoma brucei brucei | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | Raji | 1 |
| 23746473 | 10.1016/j.bmcl.2013.05.049 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine