Compound Detail
CHEMBL497954
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Basic Information
| ChEMBL ID | CHEMBL497954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBLLOSAMWVFIDV-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
425.8
MW (Da)
5.69
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.59 | 5.59 | 2590.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.1 | 5.1 | 8000.0 | 2 |
| T98G CHEMBL614775 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2590.0 | nM | 5.59 | Inhibition of glucose-induced insulin secretion in Wistar rat pancreatic beta is... | 18406154 |
| B16-F10 | IC50 | = | 7000.0 | nM | 5.16 | Growth inhibition of mouse B16F10 cells after 72 hrs by MTT assay | 22809560 |
| NON-PROTEIN TARGET | IC50 | = | 8000.0 | nM | 5.1 | Growth inhibition of human U373 cells after 72 hrs by MTT assay | 22809560 |
| NON-PROTEIN TARGET | IC50 | = | 8000.0 | nM | 5.1 | Growth inhibition of human Hs683 cells after 72 hrs by MTT assay | 22809560 |
| T98G | IC50 | = | 9000.0 | nM | 5.05 | Growth inhibition of human T98G cells after 72 hrs by MTT assay | 22809560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18406154 | 10.1016/j.bmc.2008.03.065 | Unchecked | 3 |
| 18406154 | 10.1016/j.bmc.2008.03.065 | Aorta | 2 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | NON-PROTEIN TARGET | 2 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | T98G | 2 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | B16-F10 | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | Unchecked | 1 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | Hs 683 | 1 |
Data from ChEMBL 36 via Core Engine