Compound Detail
CHEMBL1162491
OCTANEDIOATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1162491 |
| Name | OCTANEDIOATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYFQFVWCELRYAO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.50
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL5653 | Ki | 4.47 | 4.47 | 33884.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | Ki | = | 33884.42 | nM | 4.47 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 34100.0 | nM | 4.47 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 6 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Solute carrier family 22 member 20 | 2 |
| 17553798 | 10.1074/jbc.m703467200 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine