Compound Detail
CHEMBL406555
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Basic Information
| ChEMBL ID | CHEMBL406555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GITBPKOUXTVFJA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
267.2
MW (Da)
2.41
ALogP
5
HBA
0
HBD
69.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.43
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of chymotrypsin | 18333608 |
| Unchecked | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of chymotrypsin in presence of 0.1% Triton X-100 | 18333608 |
| Unchecked | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of beta-lactamase AmpC in presence of 0.1% Triton X-100 | 18333608 |
| Unchecked | IC50 | = | 55000.0 | nM | 4.26 | Inhibition of beta-lactamase AmpC | 18333608 |
| Cruzipain | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of cruzain | 18333608 |
| Cruzipain | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of cruzain in presence of 0.01% Triton X-100 | 18333608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18333608 | 10.1021/jm701500e | Unchecked | 6 |
| 18333608 | 10.1021/jm701500e | Cruzipain | 2 |
Data from ChEMBL 36 via Core Engine