Compound Detail
CHEMBL5399081
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(C)C(O)Cc1cc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2OC)cc(O)c1O
Basic Information
| ChEMBL ID | CHEMBL5399081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNIHIUAFSDTHTC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
4.28
ALogP
8
HBA
5
HBD
140.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hep 3B2 CHEMBL4296437 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hep 3B2 | IC50 | = | 1050.0 | nM | 5.98 | Cytotoxicity against human Hep3B cells assessed as inhibition of cell proliferat... | 36549116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36549116 | 10.1016/j.ejmech.2022.115006 | Hep 3B2 | 5 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | Fibroblast growth factor receptor 1 | 2 |
| 36549116 | 10.1016/j.ejmech.2022.115006 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine