Compound Detail
CHEMBL3233092
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Basic Information
| ChEMBL ID | CHEMBL3233092 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDJMEBJDOGYIRK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.27
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 13500.0 | nM | 4.87 | Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 u... | 24533839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24533839 | 10.1021/jm401709b | Cruzipain | 2 |
Data from ChEMBL 36 via Core Engine