Compound Detail
CHEMBL4099776
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Basic Information
| ChEMBL ID | CHEMBL4099776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQMAEYPMDVPZPW-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
3.70
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.64 | 7.64 | 22.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 22.91 | nM | 7.64 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
| Unchecked | Ki | = | 23.0 | nM | 7.64 | 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 | 2 |
Data from ChEMBL 36 via Core Engine