Compound Detail
CHEMBL4647504
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
CO[C@H]1[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@](O)(C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H](O)[C@@H]1OC
Basic Information
| ChEMBL ID | CHEMBL4647504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NERVBEHGMIDLEO-KFOBGKRGSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
594.7
MW (Da)
1.17
ALogP
11
HBA
4
HBD
161.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31953129 | 10.1016/j.bmc.2019.115301 | Unchecked | 2 |
| 31953129 | 10.1016/j.bmc.2019.115301 | OVCAR-3 | 1 |
| 31953129 | 10.1016/j.bmc.2019.115301 | HT-29 | 1 |
| 35213158 | 10.1021/acs.jnatprod.2c00036 | HT-29 | 1 |
| 35213158 | 10.1021/acs.jnatprod.2c00036 | MDA-MB-435 | 1 |
| 35213158 | 10.1021/acs.jnatprod.2c00036 | OVCAR-3 | 1 |
Data from ChEMBL 36 via Core Engine