Compound Detail
CHEMBL4098385
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Basic Information
| ChEMBL ID | CHEMBL4098385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWWQLKYMTLWXKN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
130.1
MW (Da)
0.23
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.71
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.71 | 4.705 | 19498.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 19498.45 | nM | 4.71 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
| Unchecked | Ki | = | 20000.0 | nM | 4.7 | 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