Compound Detail
CHEMBL301513
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 | CHEMBL301513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMJIKPBDIMRHOV-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.21
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.82
IC50 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 8.82 | 7.885 | 1.5 | 4 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 1.5 | nM | 8.82 | Displacement of [3H]flunitrazepam from diazepam-sensitive GABA-A benzodiazepine ... | 8386247 |
| GABA-A receptor; anion channel | Ki | = | 1.5 | nM | 8.82 | Binding affinity for Diazepam sensitive (DS) isoform of the benzodiazepine (Bz) ... | 8390574 |
| GABA-A receptor; anion channel | IC50 | = | 9.3 | nM | 8.03 | Displacement of [3H]flunitrazepam from diazepam-sensitive GABA-A benzodiazepine ... | 8386247 |
| GABA-A receptor; anion channel | Ki | = | 112.0 | nM | 6.95 | Displacement of [3H]flunitrazepam from diazepam-insensitive GABA-A benzodiazepin... | 8386247 |
| GABA-A receptor; anion channel | Ki | = | 112.0 | nM | 6.95 | Binding affinity for Diazepam insensitive (DI) isoform of the benzodiazepine (Bz... | 8390574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8386247 | 10.1021/jm00056a008 | GABA-A receptor; anion channel | 3 |
| 8390574 | 10.1021/jm00065a004 | GABA-A receptor; anion channel | 3 |
| 8386247 | 10.1021/jm00056a008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine