Compound Detail
CHEMBL1157
ADIPIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1157 |
| Name | ADIPIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNLRTRBMVRJNCN-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
9
Known Names
Molecular Properties
146.1
MW (Da)
0.72
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 4 meas. best 6.39
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Solute carrier family 22 member 6 CHEMBL5653 | Ki | 6.39 | 6.39 | 407.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | IC50 | = | 0.4 | nM | 9.4 | Anti-Herpes simplex virus type-1 activity in vero cells using plaque inhibition ... | 10464017 |
| Solute carrier family 22 member 6 | Ki | = | 410.0 | nM | 6.39 | Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr | 17553798 |
| Solute carrier family 22 member 6 | Ki | = | 407.38 | nM | 6.39 | 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 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 10464017 | 10.1021/jm981132u | Vero | 1 |
| 17553798 | 10.1074/jbc.m703467200 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine