Compound Detail
CHEMBL507046
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Basic Information
| ChEMBL ID | CHEMBL507046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMQJECWPWQIIPW-OWOJBTEDSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
102.1
MW (Da)
-0.38
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.0 | 5.9733 | 1000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]NCS-382 from GABAB receptor in rat brain homogenate | 19053823 |
| Unchecked | Ki | = | 1100.0 | nM | 5.96 | Displacement of [3H]NCS-382 from GABAB receptor in rat brain homogenate | 19053823 |
| Unchecked | Ki | = | 1100.0 | nM | 5.96 | Displacement of [3H]NCS-382 from GHB binding site in Sprague-Dawley rat brain sy... | 29028338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19053823 | 10.1021/jm801112u | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 29028338 | 10.1021/acs.jmedchem.7b01351 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine