Compound Detail
CHEMBL4174616
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CO[C@@H](C(=O)N[C@H]1CCCCNC1=O)[C@@H]1OC(C)(C)O[C@H](/C=C/C(C)(C)C)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4174616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDLOBRFHNCHHOQ-PKITZMDPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
1.27
ALogP
6
HBA
3
HBD
106.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108762 | 10.1039/C6MD00587J | KB | 1 |
| 30108762 | 10.1039/C6MD00587J | Lu1 | 1 |
| 30108762 | 10.1039/C6MD00587J | HepG2 | 1 |
| 30108762 | 10.1039/C6MD00587J | MCF7 | 1 |
| 30108762 | 10.1039/C6MD00587J | HL-60 | 1 |
| 30108762 | 10.1039/C6MD00587J | HeLa | 1 |
Data from ChEMBL 36 via Core Engine