Compound Detail
CHEMBL206171
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Cc1ccccc1-c1cc(N2CCN(C)CC2)ccc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL206171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LENPPWYNSXXLIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
6.72
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 1.4 | nM | 8.85 | Displacement of [3H]-labeled substance P from cloned human NK1 receptor expresse... | 16332435 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16332435 | 10.1016/j.bmcl.2005.11.047 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine