Compound Detail
CHEMBL115179
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Basic Information
| ChEMBL ID | CHEMBL115179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYRZPBDTPRQYKG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
112.1
MW (Da)
1.18
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.51 | 4.51 | 30903.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 31000.0 | nM | 4.51 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
| Unchecked | Ki | = | 30902.95 | nM | 4.51 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650693 | 10.1021/jm00017a024 | Mus musculus | 2 |
| 29028338 | 10.1021/acs.jmedchem.7b01351 | Unchecked | 2 |
| 7650693 | 10.1021/jm00017a024 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine