Compound Detail
CHEMBL4440241
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Basic Information
| ChEMBL ID | CHEMBL4440241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXWCRIKVVODMRG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
187.2
MW (Da)
2.16
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 4 CHEMBL1741219 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Short transient receptor potential channel 5 CHEMBL4523481 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 4 | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of mouse TRPC4 beta expressed in HEK293 cells co-expressing mu-opioid... | 30943030 |
| Short transient receptor potential channel 5 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of mouse TRPC5 expressed in HEK293 cells co-expressing mu-opioid rece... | 30943030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30943030 | 10.1021/acs.jmedchem.8b01954 | Short transient receptor potential channel 4 | 1 |
| 30943030 | 10.1021/acs.jmedchem.8b01954 | Short transient receptor potential channel 5 | 1 |
| 30943030 | 10.1021/acs.jmedchem.8b01954 | Short transient receptor potential channel 6 | 1 |
| 30943030 | 10.1021/acs.jmedchem.8b01954 | Short transient receptor potential channel 3 | 1 |
Data from ChEMBL 36 via Core Engine