Compound Detail
CHEMBL14997
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Cc1ccc2c(c1)N(C(=O)N1C[C@H](C)N[C@@H](C)C1)Cc1c(C(=O)OC(C)(C)C)ncn1-2
Basic Information
| ChEMBL ID | CHEMBL14997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJJWDQAWGHONBZ-HOTGVXAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.26
ALogP
6
HBA
1
HBD
79.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.59 | 7.59 | 25.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 25.6 | nM | 7.59 | Displacement of [3H]flunitrazepam from GABA-A benzodiazepine receptor of rat cor... | 10197957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10197957 | 10.1021/jm9801307 | GABA-A receptor; anion channel | 3 |
| 10197957 | 10.1021/jm9801307 | Mus musculus | 3 |
| 10197957 | 10.1021/jm9801307 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 10197957 | 10.1021/jm9801307 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine