Compound Detail
CHEMBL142477
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FC(F)(F)c1cc(COC2C3CCN(CC3)C2C(c2ccccc2)C2CCCCC2)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL142477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHNPKKNIQBKPHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
8.07
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 7.5 | nM | 8.12 | Inhibition of binding of [125I]SP to the CHO cell line expressing human Tachykin... | 7490729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490729 | 10.1021/jm00024a007 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine