Compound Detail
CHEMBL522726
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CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)CCN(C)C)ncn3)cccc2s1
Basic Information
| ChEMBL ID | CHEMBL522726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNIRXWZHOBNBKW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
544.6
MW (Da)
5.41
ALogP
8
HBA
2
HBD
109.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
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 | = | 130.0 | nM | 6.89 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... | 18722118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722118 | 10.1016/j.bmcl.2008.07.112 | No relevant target | 3 |
| 18722118 | 10.1016/j.bmcl.2008.07.112 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine