Compound Detail
CHEMBL2074640
ETHYL P-COUMARATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2074640 |
| Name | ETHYL P-COUMARATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOQCEVXVQCPESC-VMPITWQZSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.97
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.5
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carbonic anhydrase 1 CHEMBL261 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 6.31 | 6.31 | 490.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| Carbonic anhydrase 2 CHEMBL205 | Ki | 6.15 | 6.15 | 710.0 | 1 |
| Carbonic anhydrase 14 CHEMBL3510 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 6.07 | 6.07 | 850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carbonic anhydrase 1 | Ki | = | 320.0 | nM | 6.5 | Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 12 | Ki | = | 490.0 | nM | 6.31 | Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydrat... | 22668600 |
| Carbonic anhydrase 9 | Ki | = | 610.0 | nM | 6.21 | Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 2 | Ki | = | 710.0 | nM | 6.15 | Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrati... | 22668600 |
| Carbonic anhydrase 14 | Ki | = | 800.0 | nM | 6.1 | Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydrat... | 22668600 |
| Carbonic anhydrase 7 | Ki | = | 850.0 | nM | 6.07 | Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydrati... | 22668600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00022F | NON-PROTEIN TARGET | 5 |
| 8704323 | 10.1271/bbb.60.909 | Athelia rolfsii | 2 |
| 8704323 | 10.1271/bbb.60.909 | Pythium | 2 |
| 9786900 | 10.1074/jbc.273.44.28959 | Monocarboxylate transporter 1 | 1 |
| 9786900 | 10.1074/jbc.273.44.28959 | Monocarboxylate transporter 2 | 1 |
| - | 10.1007/s00044-011-9713-2 | NON-PROTEIN TARGET | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 14 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 12 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 9 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 7 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 2 | 1 |
| 22668600 | 10.1016/j.bmc.2012.05.019 | Carbonic anhydrase 1 | 1 |
| 30771602 | 10.1016/j.ejmech.2019.02.006 | Unchecked | 1 |
| 34225166 | 10.1016/j.bmc.2021.116299 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine