Compound Detail
CHEMBL482331
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O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL482331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONBQEOIKXPHGMB-VBSBHUPXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
0.44
ALogP
9
HBA
6
HBD
156.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 28 member 3 CHEMBL5707 | Ki | 5.54 | 5.54 | 2880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 28 member 3 | Ki | = | 2880.0 | nM | 5.54 | Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assess... | 19097778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19097778 | 10.1016/j.bmcl.2008.11.112 | Solute carrier family 28 member 3 | 1 |
| 19097778 | 10.1016/j.bmcl.2008.11.112 | Equilibrative nucleoside transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine