Compound Detail
CHEMBL3233097
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Basic Information
| ChEMBL ID | CHEMBL3233097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCYQOAWUFUFQHO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.01
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | IC50 | 4.42 | 4.42 | 38400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | IC50 | = | 38400.0 | nM | 4.42 | Inhibition of Trypanosoma cruzi cruzaine expressed in Escherichia coli SG13009 u... | 24533839 |
| Cruzipain | IC50 | = | 38400.0 | nM | 4.42 | Inhibition of Trypanosoma cruzi Cruzain | 30282318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24533839 | 10.1021/jm401709b | Mus musculus | 3 |
| 24533839 | 10.1021/jm401709b | Cruzipain | 2 |
| 24533839 | 10.1021/jm401709b | Trypanosoma cruzi | 1 |
| 30282318 | 10.1016/j.ejmech.2018.08.079 | Cruzipain | 1 |
| 30282318 | 10.1016/j.ejmech.2018.08.079 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine