Compound Detail
CHEMBL1093847
8-HYDROXYIRCINIALACTAM B 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
CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CCC(C)(O)CCCC2=CC(=O)N(CC(=O)O)C2)OC1=O
Basic Information
| ChEMBL ID | CHEMBL1093847 |
| Name | 8-HYDROXYIRCINIALACTAM B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIDCSRZOFJQWFI-BCHDVVBFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.57
ALogP
6
HBA
3
HBD
124.4
PSA (Ų)
0.24
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 CHEMBL5845 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 | EC50 | = | 500.0 | nM | 6.3 | Agonist activity at human recombinant alpha 1 GlyR expressed in HEK293 cells ass... | 20346682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20346682 | 10.1016/j.bmc.2010.03.002 | Glycine receptor subunit alpha-3 | 3 |
| 20346682 | 10.1016/j.bmc.2010.03.002 | Glycine receptor subunit alpha-1 | 3 |
Data from ChEMBL 36 via Core Engine