Compound Detail
CHEMBL1491962
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Basic Information
| ChEMBL ID | CHEMBL1491962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJRWSLORVIHRNX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.64
ALogP
6
HBA
1
HBD
67.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 12 member 5 CHEMBL1615384 | IC50 | 6.25 | 6.25 | 568.0 | 1 |
| Solute carrier family 12 member 2/member 5 CHEMBL3885641 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 12 member 2/member 5 | IC50 | = | 560.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Identification of Novel Modulators of Cl- dependent Transport ... | - |
| Solute carrier family 12 member 5 | IC50 | = | 568.0 | nM | 6.25 | Antagonist activity at KCC2 expressed in human HEK293 cells assessed as decrease... | 22727639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 22727639 | 10.1016/j.bmcl.2012.05.126 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 22727639 | 10.1016/j.bmcl.2012.05.126 | Solute carrier family 12 member 5 | 1 |
| 22727639 | 10.1016/j.bmcl.2012.05.126 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22727639 | 10.1016/j.bmcl.2012.05.126 | Solute carrier family 12 member 2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine