Compound Detail
CHEMBL3937976
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COCCOc1nc(-c2ccccc2C(F)(F)F)cc2nc(-c3c(C#N)c(C(C)(C)C)nn3C)[nH]c12
Basic Information
| ChEMBL ID | CHEMBL3937976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTFWTSKLGPLWDG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
5.24
ALogP
7
HBA
1
HBD
101.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential M8 protein CHEMBL1667665 | IC50 | 9.16 | 9.16 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.16 | 9.16 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential M8 protein | IC50 | = | 0.69 | nM | 9.16 | Functional Assay: HEK293 cells stably expressing canine TRPM8 were routinely gro... | - |
| Unchecked | IC50 | = | 0.69 | nM | 9.16 | Canine TRPM8 Functional Assay: HEK293 cells stably expressing canine TRPM8 were ... | - |
Data from ChEMBL 36 via Core Engine