Compound Detail
CHEMBL4246020
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(Cl)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL4246020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPZKPTYPWSCQTN-LTFTTYLTSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
595.3
MW (Da)
9.61
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.28
QED
2
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 | OVCAR-3 | 1 |
| 30057155 | 10.1016/j.bmc.2018.07.025 | MDA-MB-435 | 1 |
| 30057155 | 10.1016/j.bmc.2018.07.025 | Transcription factor p65 | 1 |
Data from ChEMBL 36 via Core Engine