Compound Detail
CHEMBL4776689
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Basic Information
| ChEMBL ID | CHEMBL4776689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEISBDMOLKTFDG-RHLNUJDMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.10
ALogP
5
HBA
3
HBD
100.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cruzipain CHEMBL3563 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cruzipain | Ki | = | 10000.0 | nM | 5.0 | Covalent inhibition of Trypanosoma cruzi cruzipain using Z-Phe-Arg-7-amidomethyl... | 34095840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34095840 | 10.1039/d0md00097c | Trypanosoma cruzi | 2 |
| 34095840 | 10.1039/d0md00097c | Cruzipain | 1 |
| 34095840 | 10.1039/d0md00097c | LLC-MK2 | 1 |
| 34095840 | 10.1039/d0md00097c | U2OS | 1 |
Data from ChEMBL 36 via Core Engine