Compound Detail
CHEMBL440598
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Basic Information
| ChEMBL ID | CHEMBL440598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJXIEXKHTZMYFN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.12
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 4.58 | 4.58 | 26200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 26200.0 | nM | 4.58 | Antimicrobial activity against trypamastigote stage of Trypanosoma brucei after ... | 24980054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24980054 | 10.1016/j.bmcl.2014.06.030 | Leishmania donovani | 5 |
| 2884314 | 10.1021/jm00389a022 | D(2) dopamine receptor | 2 |
| 2884314 | 10.1021/jm00389a022 | Rattus norvegicus | 1 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | Trypanosoma brucei | 1 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | THP-1 | 1 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | Vero | 1 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | HepG2 | 1 |
| 24980054 | 10.1016/j.bmcl.2014.06.030 | LLC-PK1 | 1 |
| 26560048 | 10.1016/j.ejmech.2015.10.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine