Compound Detail
CHEMBL460657
ELAIDIC ACID Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL460657 |
| Name | ELAIDIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQPPMHVWECSIRJ-MDZDMXLPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
282.5
MW (Da)
6.11
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Kd 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.7 | 5.7 | 1995.0 | 1 |
| Fatty acid-binding protein, adipocyte CHEMBL2083 | Kd | 4.24 | 4.24 | 58000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 1995.0 | nM | 5.7 | Inhibition of human MMP2 | 36244233 |
| Fatty acid-binding protein, adipocyte | Kd | = | 58000.0 | nM | 4.24 | Binding affinity against Adipocyte lipid binding protein | 12036355 |
| Unchecked | IC50 | = | 65000.0 | nM | 4.19 | Inhibition of transglutaminase in human keratinocytes in presence of 10 uM retin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31678743 | 10.1016/j.ejmech.2019.111810 | Staphylococcus aureus | 3 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Escherichia coli | 2 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Pseudomonas aeruginosa | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 12036355 | 10.1021/jm0200299 | Fatty acid-binding protein, adipocyte | 1 |
| 12444712 | 10.1021/np0202576 | DNA topoisomerase 1 | 1 |
| - | 10.1039/C0MD00241K | Telomerase reverse transcriptase | 1 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Staphylococcus epidermidis | 1 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Enterococcus hirae | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 36244233 | 10.1016/j.bmc.2022.117044 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine