Compound Detail
CHEMBL231020
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O=C1C[C@H]2CC[C@@H](C1)N2c1cc(F)c(CNC(=O)Nc2cccc3[nH]ncc23)cc1F
Basic Information
| ChEMBL ID | CHEMBL231020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLRSHLSJDZBRGM-OKILXGFUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
3.86
ALogP
4
HBA
3
HBD
90.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 6.8 | 6.8 | 157.0 | 1 |
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 | = | 157.0 | nM | 6.8 | Antagonist activity at human TRPV1 receptor by calcium influx assay | 17583335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17583335 | 10.1021/jm070276i | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine