Compound Detail
CHEMBL4060400
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 | CHEMBL4060400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQKIDQKOAUUVAT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
5.07
ALogP
6
HBA
1
HBD
80.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 3 CHEMBL2417348 | EC50 | 6.63 | 6.63 | 236.0 | 1 |
| Short transient receptor potential channel 7 CHEMBL4105799 | EC50 | 6.5 | 6.5 | 314.0 | 1 |
| Short transient receptor potential channel 6 CHEMBL1795081 | EC50 | 5.49 | 5.45 | 3240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 3 | EC50 | = | 236.0 | nM | 6.63 | Agonist activity at human TRPC3 expressed in HEK293 cells assessed as induction ... | 28395140 |
| Short transient receptor potential channel 7 | EC50 | = | 314.0 | nM | 6.5 | Agonist activity at human TRPC7 expressed in HEK293 cells assessed as increase i... | 28395140 |
| Short transient receptor potential channel 6 | EC50 | = | 3240.0 | nM | 5.49 | Agonist activity at mouse TRPC6 expressed in HEK293 cells co-expressing Gq11-PLC... | 28395140 |
| Short transient receptor potential channel 6 | EC50 | = | 3910.0 | nM | 5.41 | Agonist activity at mouse TRPC6 expressed in HEK293 cells co-expressing Gq11-PLC... | 28395140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Short transient receptor potential channel 4 | 4 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Short transient receptor potential channel 6 | 3 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Short transient receptor potential channel 3 | 3 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Transient receptor potential cation channel subfamily M member 8 | 2 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Unchecked | 2 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Short transient receptor potential channel 7 | 1 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Short transient receptor potential channel 5 | 1 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Transient receptor potential cation channel subfamily V member 3 | 1 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Transient receptor potential cation channel subfamily V member 4 | 1 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Transient receptor potential cation channel subfamily M member 5 | 1 |
Data from ChEMBL 36 via Core Engine