Compound Detail
CHEMBL398411
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CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(N4CCOCC4)n3)cccc2s1
Basic Information
| ChEMBL ID | CHEMBL398411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAWUOLRAMVUCQU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
5.36
ALogP
8
HBA
1
HBD
89.5
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 8.96 | 8.255 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 1.1 | nM | 8.96 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of a... | 17937985 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 28.0 | nM | 7.55 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed inhibition of c... | 17937985 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17937985 | 10.1016/j.bmcl.2007.09.080 | No relevant target | 3 |
| 17937985 | 10.1016/j.bmcl.2007.09.080 | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine