Compound Detail
CHEMBL525804
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
CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(C)c4ccccn4)ncn3)cccc2s1
Basic Information
| ChEMBL ID | CHEMBL525804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXLMKVMKRUKAFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
7.09
ALogP
8
HBA
2
HBD
101.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5530.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 1.833 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 17.0 | % | Rattus norvegicus |
| T1/2 | 4.7 | hr | Rattus norvegicus |
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 | = | 0.48 | nM | 9.32 | 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 | Rattus norvegicus | 5 |
| 18722118 | 10.1016/j.bmcl.2008.07.112 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 18722118 | 10.1016/j.bmcl.2008.07.112 | No relevant target | 3 |
Data from ChEMBL 36 via Core Engine