Compound Detail
CHEMBL466743
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Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)c4ccccn4)ncn3)cccc2[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL466743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBFKAXSBCHLQJH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
519.4
MW (Da)
4.42
ALogP
8
HBA
3
HBD
148.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 9.15 | 9.15 | 0.7 | 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 | = | 0.7 | nM | 9.15 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... | 18386885 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 0.7 | nM | 9.15 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... | 18386885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18386885 | 10.1021/jm7014638 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 18386885 | 10.1021/jm7014638 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine