Compound Detail
CHEMBL4079436
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C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCOC(=O)CCCCCCCCCCCCCCCCC)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL4079436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACWRVOKKBTUNQW-IPJROLFESA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
760.1
MW (Da)
9.16
ALogP
7
HBA
3
HBD
139.9
PSA (Ų)
0.06
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28075592 | 10.1021/acs.jmedchem.6b01745 | K562 | 1 |
| 28075592 | 10.1021/acs.jmedchem.6b01745 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine