Compound Detail
CHEMBL3233120
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Basic Information
| ChEMBL ID | CHEMBL3233120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLHXKIXREZYQDN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.3
MW (Da)
4.52
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 6.21 | 6.21 | 610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 620.0 | nM | 6.21 | Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 u... | 24533839 |
| Cruzipain | IC50 | = | 610.0 | nM | 6.21 | Inhibition of Trypanosoma cruzi Cruzain | 32818869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24533839 | 10.1021/jm401709b | Cruzipain | 2 |
| 32818869 | 10.1016/j.ejmech.2020.112692 | Cruzipain | 1 |
Data from ChEMBL 36 via Core Engine