Compound Detail
CHEMBL377467
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 | CHEMBL377467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTCPAIDEHJAZKD-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
365.3
MW (Da)
5.42
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic beta cell CHEMBL614780 | IC50 | 5.5 | 5.5 | 3130.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.77 | 4.725 | 17000.0 | 2 |
| B16-F10 CHEMBL612656 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| T98G CHEMBL614775 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic beta cell | IC50 | = | 3130.0 | nM | 5.5 | Inhibition of insulin release in Wistar rat pancreatic islet beta cells | 16854075 |
| NON-PROTEIN TARGET | IC50 | = | 17000.0 | nM | 4.77 | Growth inhibition of human Hs683 cells after 72 hrs by MTT assay | 22809560 |
| NON-PROTEIN TARGET | IC50 | = | 21000.0 | nM | 4.68 | Growth inhibition of human U373 cells after 72 hrs by MTT assay | 22809560 |
| T98G | IC50 | = | 25000.0 | nM | 4.6 | Growth inhibition of human T98G cells after 72 hrs by MTT assay | 22809560 |
| B16-F10 | IC50 | = | 25000.0 | nM | 4.6 | Growth inhibition of mouse B16F10 cells after 72 hrs by MTT assay | 22809560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854075 | 10.1021/jm060161z | Pancreatic beta cell | 7 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | NON-PROTEIN TARGET | 4 |
| 18479927 | 10.1016/j.bmc.2008.04.043 | Unchecked | 3 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | Unchecked | 2 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | T98G | 2 |
| 16854075 | 10.1021/jm060161z | Rattus norvegicus | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | Molecular identity unknown | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | B16-F10 | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | Hs 683 | 1 |
Data from ChEMBL 36 via Core Engine