Compound Detail
CHEMBL4438838
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4438838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUHHTJJRHYUBDJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
2.80
ALogP
2
HBA
1
HBD
31.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 4 CHEMBL1741219 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Short transient receptor potential channel 5 CHEMBL4523481 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| Short transient receptor potential channel 3 CHEMBL2417348 | IC50 | 4.71 | 4.71 | 19300.0 | 1 |
| Short transient receptor potential channel 6 CHEMBL1795081 | IC50 | 4.2 | 4.2 | 63800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 4 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of mouse TRPC4 beta expressed in HEK293 cells co-expressing mu-opioid... | 30943030 |
| Short transient receptor potential channel 5 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of mouse TRPC5 expressed in HEK293 cells co-expressing mu-opioid rece... | 30943030 |
| Short transient receptor potential channel 3 | IC50 | = | 19300.0 | nM | 4.71 | Inhibition of human TRPC3 expressed in HEK293 cells assessed as reduction in car... | 30943030 |
| Short transient receptor potential channel 6 | IC50 | = | 63800.0 | nM | 4.2 | Inhibition of mouse TRPC6 expressed in HEK293 cells co-expressing M5 receptor as... | 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