Compound Detail
CHEMBL368372
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CN(CC(CCN1CCC(CO)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL368372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKIUUIQCFJBFIE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.5
MW (Da)
6.27
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL4554 | Ki | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 50.0 | nM | 7.3 | Inhibition of [125I]NKA binding to neurokinin NK2 receptor from rat duodenum mem... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80694-0 | Cavia porcellus | 2 |
| - | 10.1016/S0960-894X(00)80694-0 | Substance-K receptor | 1 |
| - | 10.1016/S0960-894X(00)80694-0 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine