Compound Detail
CHEMBL3809108
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
Basic Information
| ChEMBL ID | CHEMBL3809108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDYPXQGKOGDGSD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
-1.25
ALogP
8
HBA
0
HBD
81.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BeWo CHEMBL614525 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.84 | 5.84 | 1450.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.65 | 5.65 | 2240.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 4.93 | 4.93 | 11770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BeWo | IC50 | = | 1300.0 | nM | 5.89 | Cytotoxicity against human Bewo cells assessed as cell growth inhibition after 7... | 27184766 |
| NON-PROTEIN TARGET | IC50 | = | 1450.0 | nM | 5.84 | Cytotoxicity against human HL60 cells assessed as cell growth inhibition after 7... | 27184766 |
| MCF7 | IC50 | = | 2240.0 | nM | 5.65 | Cytotoxicity against human MCF7 cells assessed as cell growth inhibition after 7... | 27184766 |
| Hepatocyte growth factor receptor | IC50 | = | 11770.0 | nM | 4.93 | Inhibition of cMET (unknown origin) using TK substrate-biotin as substrate prein... | 27184766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27184766 | 10.1016/j.bmcl.2016.05.007 | Mus musculus | 21 |
| 27184766 | 10.1016/j.bmcl.2016.05.007 | CCRF S-180 | 3 |
| 27184766 | 10.1016/j.bmcl.2016.05.007 | MCF7 | 1 |
| 27184766 | 10.1016/j.bmcl.2016.05.007 | BeWo | 1 |
| 27184766 | 10.1016/j.bmcl.2016.05.007 | NON-PROTEIN TARGET | 1 |
| 27184766 | 10.1016/j.bmcl.2016.05.007 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine