Compound Detail
CHEMBL516247
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OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2CCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL516247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVEIZRPEUQSVDV-YMQHIKHWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
0.16
ALogP
9
HBA
7
HBD
160.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 28 member 3 CHEMBL5707 | Ki | 4.91 | 4.91 | 12350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 28 member 3 | Ki | = | 12350.0 | nM | 4.91 | 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 |
Data from ChEMBL 36 via Core Engine