Compound Detail
CHEMBL104301
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Cn1c(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2ccc(F)cc2)c2cccnc2c1=O
Basic Information
| ChEMBL ID | CHEMBL104301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHEFUYSBNMMOGV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
523.4
MW (Da)
5.71
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 1.1 | nM | 8.96 | Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM... | 7543579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7543579 | 10.1021/jm00016a014 | Substance-P receptor | 1 |
| 7543579 | 10.1021/jm00016a014 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine