Compound Detail
CHEMBL4076730
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Basic Information
| ChEMBL ID | CHEMBL4076730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZRLQSAFDSYSJE-ZHACJKMWSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.95
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.52 | 6.9433 | 30.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
| Unchecked | Ki | = | 33.88 | nM | 7.47 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
| Unchecked | Ki | = | 41.69 | nM | 7.38 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
| Unchecked | Ki | = | 42.0 | nM | 7.38 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
| Unchecked | Ki | = | 1071.52 | nM | 5.97 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
| Unchecked | Ki | = | 1160.0 | nM | 5.94 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29028338 | 10.1021/acs.jmedchem.7b01351 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine