Compound Detail
CHEMBL1081862
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Basic Information
| ChEMBL ID | CHEMBL1081862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OABMKUYJAYGQHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
3.34
ALogP
7
HBA
0
HBD
74.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 9.22 | 9.22 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6000.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | - | mL.min-1.g-1 | Homo sapiens |
| F | 44.0 | % | Rattus norvegicus |
| T1/2 | 1.4 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 0.6 | nM | 9.22 | Displacement of [3H]flumazenil from GABAA alpha-5-beta-3-gamma-2 receptor | 19740657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19740657 | 10.1016/j.bmcl.2009.08.027 | Rattus norvegicus | 7 |
| 19740657 | 10.1016/j.bmcl.2009.08.027 | Unchecked | 3 |
| 19740657 | 10.1016/j.bmcl.2009.08.027 | No relevant target | 2 |
| 19740657 | 10.1016/j.bmcl.2009.08.027 | Liver microsomes | 2 |
| 19740657 | 10.1016/j.bmcl.2009.08.027 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 2 |
| 19740657 | 10.1016/j.bmcl.2009.08.027 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine