Compound Detail
CHEMBL4278540
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
COc1ccc([C@H]2[C@H](NC(=O)[C@H](C)N)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1O
Basic Information
| ChEMBL ID | CHEMBL4278540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOQYVRGSURUBFN-BKOMCJNNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
1.35
ALogP
8
HBA
3
HBD
132.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW48 CHEMBL614055 | IC50 | 7.04 | 7.04 | 90.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW48 | IC50 | = | 90.6 | nM | 7.04 | Antiproliferative activity against human SW48 cells after 72 hrs by MTT assay | 30108973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108973 | 10.1039/C8MD00147B | SW48 | 1 |
Data from ChEMBL 36 via Core Engine