Compound Detail
CHEMBL4785991
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Basic Information
| ChEMBL ID | CHEMBL4785991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXKAPVMLIBICJF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.04
ALogP
8
HBA
1
HBD
98.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.9167 | hr | Rattus norvegicus |
| T1/2 | 1.667 | hr | Homo sapiens |
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 | = | 14.0 | nM | 7.85 | Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillati... | 32898695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32898695 | 10.1016/j.bmcl.2020.127536 | ADMET | 2 |
| 32898695 | 10.1016/j.bmcl.2020.127536 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
| 32898695 | 10.1016/j.bmcl.2020.127536 | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 |
| 32898695 | 10.1016/j.bmcl.2020.127536 | Gamma-aminobutyric acid receptor subunit alpha-2 | 1 |
| 32898695 | 10.1016/j.bmcl.2020.127536 | Gamma-aminobutyric acid receptor subunit alpha-1 | 1 |
| 32898695 | 10.1016/j.bmcl.2020.127536 | Gamma-aminobutyric acid receptor subunit alpha-3 | 1 |
Data from ChEMBL 36 via Core Engine