Compound Detail
CHEMBL480612
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Basic Information
| ChEMBL ID | CHEMBL480612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKFBQDWUIAMZAJ-OQLLNIDSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
2.88
ALogP
4
HBA
2
HBD
62.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
| Solute carrier family 2, facilitated glucose transporter member 1 CHEMBL2535 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 20400.0 | nM | 4.69 | Cytotoxicity against human H1299 cells assessed as growth inhibition after 48 hr... | 24200808 |
| Solute carrier family 2, facilitated glucose transporter member 1 | IC50 | = | 23400.0 | nM | 4.63 | Inhibition of GLUT1 in human H1299 cells assessed as inhibition of 2-deoxy-D-[3H... | 24200808 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19128016 | 10.1021/jm801458t | Estrogen receptor | 1 |
| 19128016 | 10.1021/jm801458t | Estrogen receptor beta | 1 |
| 19128016 | 10.1021/jm801458t | Unchecked | 1 |
| 24200808 | 10.1016/j.bmcl.2013.09.037 | NON-PROTEIN TARGET | 1 |
| 24200808 | 10.1016/j.bmcl.2013.09.037 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
Data from ChEMBL 36 via Core Engine