Compound Detail
CHEMBL3739637
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C=C(C)[C@@H]1CC[C@]2(COC(=O)NCCCCCC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3739637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGWVMKJFALNJBX-KVOWTBODSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
612.0
MW (Da)
9.88
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26547057 | 10.1016/j.ejmech.2015.10.043 | NON-PROTEIN TARGET | 1 |
| 26547057 | 10.1016/j.ejmech.2015.10.043 | A2780 | 1 |
| 26547057 | 10.1016/j.ejmech.2015.10.043 | A549 | 1 |
| 26547057 | 10.1016/j.ejmech.2015.10.043 | MCF7 | 1 |
| 26547057 | 10.1016/j.ejmech.2015.10.043 | ADMET | 1 |
| 26547057 | 10.1016/j.ejmech.2015.10.043 | HT-29 | 1 |
| 26547057 | 10.1016/j.ejmech.2015.10.043 | HeLa | 1 |
| 27142753 | 10.1016/j.bmcl.2016.04.055 | NON-PROTEIN TARGET | 1 |
| 27142753 | 10.1016/j.bmcl.2016.04.055 | A2780 | 1 |
| 27142753 | 10.1016/j.bmcl.2016.04.055 | HT-29 | 1 |
| 27142753 | 10.1016/j.bmcl.2016.04.055 | MCF7 | 1 |
| 27142753 | 10.1016/j.bmcl.2016.04.055 | A549 | 1 |
| 27142753 | 10.1016/j.bmcl.2016.04.055 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine