Compound Detail
CHEMBL3683333
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Basic Information
| ChEMBL ID | CHEMBL3683333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBAAQQXLAXJOGL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
421.8
MW (Da)
4.48
ALogP
5
HBA
1
HBD
92.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 12 | IC50 | = | 50.0 | nM | 7.3 | Inhibition Assay: Assay compound plates were prepared by diluting the compounds ... | - |
Data from ChEMBL 36 via Core Engine