Compound Detail
CHEMBL4283154
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C=C1C(=O)O[C@H]2[C@H]1CC/C(Cn1cc(CCO)nn1)=C\CC[C@@]1(C)O[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL4283154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWTNRAPSOFGPMV-CNKOZYCPSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
1.57
ALogP
7
HBA
1
HBD
89.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30006167 | 10.1016/j.ejmech.2018.06.058 | Bel-7402 | 1 |
| 30006167 | 10.1016/j.ejmech.2018.06.058 | HCT-116 | 1 |
| 30006167 | 10.1016/j.ejmech.2018.06.058 | PANC-1 | 1 |
| 30006167 | 10.1016/j.ejmech.2018.06.058 | A549 | 1 |
| 30006167 | 10.1016/j.ejmech.2018.06.058 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine