Compound Detail
CHEMBL2418044
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Basic Information
| ChEMBL ID | CHEMBL2418044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBOXYLFKMFGYGL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.46
ALogP
4
HBA
2
HBD
102.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
Ki 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acrosin CHEMBL3243910 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.36 | 5.36 | 4410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acrosin | Ki | = | 2600.0 | nM | 5.58 | Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as ... | 722718 |
| Trypanosoma brucei rhodesiense | IC50 | = | 4410.0 | nM | 5.36 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 after 7... | 23871911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Unchecked | 2 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | L6 | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Trypanosoma brucei rhodesiense | 1 |
| 23871911 | 10.1016/j.ejmech.2013.06.033 | Plasmodium falciparum | 1 |
| 722718 | 10.1021/jm00209a008 | Acrosin | 1 |
Data from ChEMBL 36 via Core Engine