Compound Detail
CHEMBL88244
BETA-EUDESMOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL88244 |
| Name | BETA-EUDESMOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOPIMTNSYWYZOC-VNHYZAJKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
222.4
MW (Da)
3.92
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.48
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ileum CHEMBL613680 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ileum | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of spontaneous contraction in guinea pig ileum | 16933870 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 33000.0 | nM | 4.48 | Agonist activity at human TRPA1 | 30096653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10509909 | 10.1016/s0960-894x(99)00442-4 | Rattus norvegicus | 6 |
| 6418860 | 10.1021/np50029a010 | Hepatocyte | 6 |
| 1659613 | 10.1021/np50075a010 | Unchecked | 5 |
| 1659613 | 10.1021/np50075a010 | Raji | 5 |
| 30096653 | 10.1016/j.ejmech.2018.07.076 | Unchecked | 3 |
| 6418860 | 10.1021/np50029a010 | Alanine aminotransferase 1 | 1 |
| 16933870 | 10.1021/np060180b | Ileum | 1 |
| 17894463 | 10.1021/jf071379c | Colletotrichum gloeosporioides | 1 |
| 17894463 | 10.1021/jf071379c | Colletotrichum fragariae | 1 |
| 17894463 | 10.1021/jf071379c | Colletotrichum acutatum | 1 |
| 21520395 | 10.1002/ps.2180 | Drosophila melanogaster | 1 |
| 24641242 | 10.1021/np400872m | No relevant target | 1 |
| 30096653 | 10.1016/j.ejmech.2018.07.076 | Transient receptor potential cation channel subfamily A member 1 | 1 |
Data from ChEMBL 36 via Core Engine