Compound Detail
CHEMBL4242588
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C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(CO)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4242588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWUXNWWMRBXQRC-BBBXVDCKSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.06
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30057155 | 10.1016/j.bmc.2018.07.025 | HT-29 | 2 |
| 30057155 | 10.1016/j.bmc.2018.07.025 | MDA-MB-231 | 1 |
| 30057155 | 10.1016/j.bmc.2018.07.025 | MDA-MB-435 | 1 |
| 30057155 | 10.1016/j.bmc.2018.07.025 | OVCAR-3 | 1 |
| 30057155 | 10.1016/j.bmc.2018.07.025 | Transcription factor p65 | 1 |
Data from ChEMBL 36 via Core Engine