Compound Detail
CHEMBL4168005
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
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)c(O)c2)cc1O
Basic Information
| ChEMBL ID | CHEMBL4168005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNBVIZOPZQHBFX-OKGMQGNASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
7.64
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.17
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-87 MG CHEMBL614247 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| U-87 MG | EC50 | = | 25.0 | nM | 7.6 | Antiproliferative activity against human U87 cells after 72 hrs by MTS assay | 28972755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28972755 | 10.1021/acs.jnatprod.7b00409 | A549 | 1 |
| 28972755 | 10.1021/acs.jnatprod.7b00409 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine