Compound Detail
CHEMBL4105437
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
COc1ccc2c(c1)c(CC(=O)O[C@H]1c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@@H]31)OCO4)c(C)n2C(=O)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL4105437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIWQYRZCIUKJGO-XGABHMDESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
754.2
MW (Da)
6.82
ALogP
12
HBA
0
HBD
130.0
PSA (Ų)
0.15
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L02 CHEMBL4296457 | IC50 | 5.73 | 5.73 | 1858.0 | 1 |
| Bel7402/5-FU CHEMBL4483230 | IC50 | 5.67 | 5.67 | 2159.0 | 1 |
| Bel-7402 CHEMBL614279 | IC50 | 5.23 | 5.23 | 5870.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L02 | IC50 | = | 1858.0 | nM | 5.73 | Antiproliferative activity against human LO2 cells after 72 hrs by CCK-8 assay | 28301815 |
| Bel7402/5-FU | IC50 | = | 2159.0 | nM | 5.67 | Antiproliferative activity against human Bel7402/5-FU cells after 72 hrs by CCK-... | 28301815 |
| Bel-7402 | IC50 | = | 5897.0 | nM | 5.23 | Antiproliferative activity against human Bel7402 cells after 72 hrs by CCK-8 ass... | 28301815 |
| Bel-7402 | IC50 | = | 5870.0 | nM | 5.23 | Antiproliferative activity against human Bel-7402 cells assessed as reduction in... | 38107170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28301815 | 10.1016/j.ejmech.2017.03.011 | Bel7402/5-FU | 31 |
| 28301815 | 10.1016/j.ejmech.2017.03.011 | Bel-7402 | 1 |
| 28301815 | 10.1016/j.ejmech.2017.03.011 | Unchecked | 1 |
| 28301815 | 10.1016/j.ejmech.2017.03.011 | L02 | 1 |
| 28301815 | 10.1016/j.ejmech.2017.03.011 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 28301815 | 10.1016/j.ejmech.2017.03.011 | Signal transducer and activator of transcription 3 | 1 |
| 28301815 | 10.1016/j.ejmech.2017.03.011 | RAC-alpha serine/threonine-protein kinase | 1 |
| 38107170 | 10.1039/d3md00560g | Bel-7402 | 1 |
Data from ChEMBL 36 via Core Engine