Compound Detail
CHEMBL341599
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CN(C)CCCC(=O)N1CCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CC1
Basic Information
| ChEMBL ID | CHEMBL341599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJKLZGZNEXZJFI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
6.14
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.37
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 1.2 | nM | 8.92 | Binding affinity at human tachykinin receptor 1 by measuring its ability to disp... | 9804702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804702 | 10.1021/jm980376b | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine