Compound Detail
CHEMBL4848279
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N#Cc1cncc(COc2cc(OC3CCc4c(-c5ccccc5)cccc43)c(Cl)cc2CN[C@@H](CO)C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL4848279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFMADIVPJSLSMQ-XLTVJXRZSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
570.0
MW (Da)
5.45
ALogP
7
HBA
3
HBD
124.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33770574 | 10.1016/j.ejmech.2021.113377 | Programmed cell death 1 ligand 1 | 1 |
| 34610423 | 10.1016/j.bmcl.2021.128403 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
| 33773287 | 10.1016/j.ejmech.2021.113356 | Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine