Compound Detail
CHEMBL4554516
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CC(C)C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CN)C(C)C)CNC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4554516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFYAIKHWMVEMJU-NWHYMTRRSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
862.0
MW (Da)
-6.22
ALogP
13
HBA
13
HBD
371.5
PSA (Ų)
0.07
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31658413 | 10.1021/acs.jmedchem.9b00798 | Receptor-histidine kinase AgrC | 1 |
Data from ChEMBL 36 via Core Engine