Compound Detail
CHEMBL14184
HEXANOATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL14184 |
| Name | HEXANOATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
116.2
MW (Da)
1.65
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.05
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Solute carrier family 22 member 20 CHEMBL5269 | Ki | 5.05 | 5.045 | 9000.0 | 2 |
| Solute carrier family 22 member 6 CHEMBL5653 | Ki | 4.43 | 4.425 | 37153.5 | 2 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 4.17 | 4.17 | 68200.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 3.58 | 3.58 | 260000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 4.6 | nM | 8.34 | Antitumor activity against mouse L1210 cells | 18508273 |
| Solute carrier family 22 member 20 | Ki | = | 9000.0 | nM | 5.05 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 20 | Ki | = | 9120.11 | nM | 5.04 | Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 37153.52 | nM | 4.43 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 38000.0 | nM | 4.42 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 68200.0 | nM | 4.17 | Inhibition of aldose reductase | 17870536 |
| Unchecked | Ki | = | 260000.0 | nM | 3.58 | Inhibition of avidin (unknown origin) | 32539387 |
Literature References
Data from ChEMBL 36 via Core Engine