Compound Detail
CHEMBL3577902
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Basic Information
| ChEMBL ID | CHEMBL3577902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRPBUWRZMBYEIQ-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
5.99
ALogP
3
HBA
1
HBD
70.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 45.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 10.0 | mL.min-1.g-1 | Homo sapiens |
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 | = | 62.0 | nM | 7.21 | Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells... | 25893043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25893043 | 10.1021/ml500479v | Liver microsome | 2 |
| 25893043 | 10.1021/ml500479v | Hepatocyte | 1 |
| 25893043 | 10.1021/ml500479v | No relevant target | 1 |
| 25893043 | 10.1021/ml500479v | Transient receptor potential cation channel subfamily M member 8 | 1 |
| 25893043 | 10.1021/ml500479v | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 25893043 | 10.1021/ml500479v | Cytochrome P450 3A4 | 1 |
| 25893043 | 10.1021/ml500479v | Cytochrome P450 2D6 | 1 |
| 25893043 | 10.1021/ml500479v | Cytochrome P450 1A2 | 1 |
| 25893043 | 10.1021/ml500479v | Cytochrome P450 2C8 | 1 |
| 25893043 | 10.1021/ml500479v | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine