Compound Detail
CHEMBL4592766
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
COc1nc(C/C=C(\C)C/C(C)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@]2(C)O[C@H]2C)c(C)c(O)c1OC
Basic Information
| ChEMBL ID | CHEMBL4592766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOTNBTWLMWQADF-UUOARQPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
5.06
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| OS-RC-2 CHEMBL2366188 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| OS-RC-2 | IC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against human OS-RC2 cells assessed as reduction in cell viability ... | 31298537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31298537 | 10.1021/acs.jmedchem.9b00598 | ACHN | 2 |
| 31298537 | 10.1021/acs.jmedchem.9b00598 | 786-0 | 1 |
| 31298537 | 10.1021/acs.jmedchem.9b00598 | OS-RC-2 | 1 |
| 31298537 | 10.1021/acs.jmedchem.9b00598 | HK-2 | 1 |
Data from ChEMBL 36 via Core Engine