Compound Detail
CHEMBL5176703
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C/C=C(/C)C(=O)OC[C@H]1C2=C(C[C@H]3[C@H]4C5=C(C(=O)C(C)=C(OC)C5=O)[C@H](O[C@H]5CC[C@@]6(C)C(=CC[C@H]7C8C[C@H]([C@H](C)CCCC(C)C)C[C@@]8(C)CC[C@@H]76)C5)[C@@H]([C@H](C#N)N13)N4C)C(=O)C(C)=C(OC)C2=O
Basic Information
| ChEMBL ID | CHEMBL5176703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIQBPMCJZHCTLI-CFTIJBTLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
960.3
MW (Da)
9.06
ALogP
12
HBA
0
HBD
152.5
PSA (Ų)
0.08
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33333398 | 10.1016/j.ejmech.2020.113092 | HCT-116 | 1 |
| 33333398 | 10.1016/j.ejmech.2020.113092 | QG-56 | 1 |
| 33333398 | 10.1016/j.ejmech.2020.113092 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine