Compound Detail
CHEMBL5076509
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Basic Information
| ChEMBL ID | CHEMBL5076509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVSPYEYQFMGJNK-GXTWGEPZSA-N |
3
Targets
6
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.95
ALogP
9
HBA
0
HBD
100.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 8.25 | 7.965 | 5.6 | 4 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33749283 | 10.1021/acs.jmedchem.0c02023 | ADMET | 2 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | Unchecked | 1 |
| 33749283 | 10.1021/acs.jmedchem.0c02023 | No relevant target | 1 |
| 37269667 | 10.1016/j.ejmech.2023.115392 | Transient receptor potential cation channel subfamily A member 1 | 1 |
Data from ChEMBL 36 via Core Engine