Compound Detail
CHEMBL3577895
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C[C@H](c1ccc(F)cc1)N(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cnc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL3577895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKFVICRZSFOZNC-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.96
ALogP
5
HBA
1
HBD
87.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 5.79 | 5.79 | 1613.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 1613.0 | nM | 5.79 | Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells... | 25893043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25893043 | 10.1021/ml500479v | Transient receptor potential cation channel subfamily M member 8 | 1 |
Data from ChEMBL 36 via Core Engine