Compound Detail
CHEMBL3264915
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COc1cccc(/C=C(\NC(C)=O)C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL3264915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDDCVTGUSHOQAM-HMEWVEERSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
3.22
ALogP
5
HBA
3
HBD
125.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24745968 | 10.1016/j.bmcl.2014.03.091 | KB | 1 |
| 24745968 | 10.1016/j.bmcl.2014.03.091 | HepG2 | 1 |
| 24745968 | 10.1016/j.bmcl.2014.03.091 | NON-PROTEIN TARGET | 1 |
| 24745968 | 10.1016/j.bmcl.2014.03.091 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine