Compound Detail
CHEMBL97329
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CCN(CC)c1ccc(C(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL97329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGQHWFJOIPWTPS-NQIMDJOHSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
697.9
MW (Da)
5.09
ALogP
7
HBA
4
HBD
159.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667970 | 10.1021/jm980068d | HeLa | 2 |
| 9667970 | 10.1021/jm980068d | Human rhinovirus A protease | 1 |
| 27996267 | 10.1021/acs.jmedchem.6b00788 | Unchecked | 1 |
| 27996267 | 10.1021/acs.jmedchem.6b00788 | rhinovirus B14 | 1 |
| 27996267 | 10.1021/acs.jmedchem.6b00788 | H1-HeLa | 1 |
Data from ChEMBL 36 via Core Engine