Compound Detail
CHEMBL329857
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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL329857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOMYVHLVFSXJJQ-BJKOEGOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
766.9
MW (Da)
6.63
ALogP
6
HBA
4
HBD
142.7
PSA (Ų)
0.05
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus A protease CHEMBL2857 | Ki | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus A protease | Ki | = | 40.0 | nM | 7.4 | Binding affinity against HRV-14 3C protease. | 9667969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667969 | 10.1021/jm980071x | Human rhinovirus A protease | 1 |
| 9667969 | 10.1021/jm980071x | Human rhinovirus sp. | 1 |
| 9667969 | 10.1021/jm980071x | HeLa | 1 |
Data from ChEMBL 36 via Core Engine