Compound Detail
CHEMBL53384
PROPYNOIC ACID ETHYL ESTER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL53384 |
| Name | PROPYNOIC ACID ETHYL ESTER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMVJYQGSRWVMQV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
98.1
MW (Da)
0.18
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tetrahymena pyriformis CHEMBL612891 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tetrahymena pyriformis | EC50 | = | 17000.0 | nM | 4.77 | Toxicity in Tetrahymena pyriformis assessed as growth inhibition after 48 hrs | 27996267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191959 | 10.1021/jm960280m | Rattus norvegicus | 1 |
| 28438541 | 10.1016/j.bmcl.2017.04.031 | No relevant target | 1 |
| 27996267 | 10.1021/acs.jmedchem.6b00788 | No relevant target | 1 |
| 27996267 | 10.1021/acs.jmedchem.6b00788 | Tetrahymena pyriformis | 1 |
Data from ChEMBL 36 via Core Engine