Compound Detail
CHEMBL431597
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
CN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(NC(Cc5c[nH]c6ccccc56)C(=O)NC(=O)OCc5ccccc5)ccc43)cc12
Basic Information
| ChEMBL ID | CHEMBL431597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUONVKFDJJYYME-XNAWBMTISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
665.8
MW (Da)
7.10
ALogP
7
HBA
4
HBD
120.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 33.0 | nM | 7.48 | Binding affinity to the benzodiazepine receptor assayed using 0.5 nM [3H]flunitr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00418-S | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine