Compound Detail
CHEMBL286471
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 | CHEMBL286471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGNWRICPWILABJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.15
ALogP
4
HBA
1
HBD
79.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 6.41 | 6.41 | 390.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 6.06 | 6.06 | 880.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 390.0 | nM | 6.41 | Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombina... | 10890169 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | Ki | = | 880.0 | nM | 6.06 | Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant... | 10890169 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 990.0 | nM | 6.0 | Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant... | 10890169 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 10890169 | 10.1016/s0960-894x(00)00245-6 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 10890169 | 10.1016/s0960-894x(00)00245-6 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 10890169 | 10.1016/s0960-894x(00)00245-6 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine