Compound Detail
CHEMBL608379
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Basic Information
| ChEMBL ID | CHEMBL608379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGYSEYVWIATBOW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
391.9
MW (Da)
4.84
ALogP
4
HBA
2
HBD
76.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.7 | 5.61 | 2000.0 | 2 |
| B16-F10 CHEMBL612656 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| T98G CHEMBL614775 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2000.0 | nM | 5.7 | Growth inhibition of human Hs683 cells after 72 hrs by MTT assay | 22809560 |
| NON-PROTEIN TARGET | IC50 | = | 3000.0 | nM | 5.52 | Growth inhibition of human U373 cells after 72 hrs by MTT assay | 22809560 |
| B16-F10 | IC50 | = | 3000.0 | nM | 5.52 | Growth inhibition of mouse B16F10 cells after 72 hrs by MTT assay | 22809560 |
| T98G | IC50 | = | 4000.0 | nM | 5.4 | Growth inhibition of human T98G cells after 72 hrs by MTT assay | 22809560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19822435 | 10.1016/j.bmc.2009.09.041 | Unchecked | 3 |
| 22809560 | 10.1016/j.ejmech.2012.06.050 | Unchecked | 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 | 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 |
| 28475330 | 10.1021/acs.jmedchem.7b00533 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 28475330 | 10.1021/acs.jmedchem.7b00533 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 28475330 | 10.1021/acs.jmedchem.7b00533 | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine