Compound Detail
CHEMBL358738
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CC(=O)NC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1
Basic Information
| ChEMBL ID | CHEMBL358738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMGSQCQSWFAAIM-AWCRTANDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
657.8
MW (Da)
4.17
ALogP
8
HBA
4
HBD
155.6
PSA (Ų)
0.14
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human rhinovirus sp. CHEMBL612470 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human rhinovirus sp. | Ki | = | 1700.0 | nM | 5.77 | Compound was evaluated for the inhibition of human rhinovirus 3C protease (3CP) | 10636240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10636240 | 10.1016/s0960-894x(99)00587-9 | Human rhinovirus sp. | 3 |
Data from ChEMBL 36 via Core Engine