Compound Detail
CHEMBL1213528
CROTONIC 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 | CHEMBL1213528 |
| Name | CROTONIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDHQCZJRKDOVOX-NSCUHMNNSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
86.1
MW (Da)
0.65
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 220.0 | nM | 6.66 | Antihemorrhagic activity in ddY mouse assessed as inhibition of Protobothrops fl... | 21388814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23391306 | 10.1021/jm3017865 | D-amino-acid oxidase | 3 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Staphylococcus aureus | 3 |
| 19465932 | 10.1038/nchembio.179 | Mus musculus | 2 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Escherichia coli | 2 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Pseudomonas aeruginosa | 2 |
| 21388814 | 10.1016/j.bmc.2011.02.013 | Mus musculus | 1 |
| 21167710 | 10.1016/j.bmcl.2010.11.091 | Hydroxycarboxylic acid receptor 2 | 1 |
| 23391306 | 10.1021/jm3017865 | Serine racemase | 1 |
| 23391306 | 10.1021/jm3017865 | D-aspartate oxidase | 1 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Staphylococcus epidermidis | 1 |
| 31678743 | 10.1016/j.ejmech.2019.111810 | Enterococcus hirae | 1 |
Data from ChEMBL 36 via Core Engine