Compound Detail
CHEMBL71394
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CN(CC(CCN1CCCC(n2c(O)nc3ccccc32)C1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL71394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDGIWFABCWUAFZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.5
MW (Da)
6.63
ALogP
5
HBA
1
HBD
61.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2327 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | IC50 | = | 7.1 | nM | 8.15 | Binding affinity for human tachykinin receptor 2 expressed in CHO cells using [1... | 12798336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12798336 | 10.1016/s0960-894x(03)00343-3 | Substance-K receptor | 1 |
| 12798336 | 10.1016/s0960-894x(03)00343-3 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine