Compound Detail
CHEMBL4069075
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CCOC(=O)N1CCC(C)(c2cc(O)n3nc(C)c(-c4ccc([N+](=O)[O-])cc4)c3n2)CC1
Basic Information
| ChEMBL ID | CHEMBL4069075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZVNIQCKODXPKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.83
ALogP
8
HBA
1
HBD
123.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 6 CHEMBL1795081 | EC50 | 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 6 | EC50 | = | 8000.0 | nM | 5.1 | 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 6 | 1 |
| 28395140 | 10.1021/acs.jmedchem.7b00304 | Short transient receptor potential channel 4 | 1 |
Data from ChEMBL 36 via Core Engine