Compound Detail
CHEMBL56143
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCC(O)(CCC)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL56143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQBKCXBPQSWWAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
7.28
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL2327 | Ki | 8.33 | 8.33 | 4.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 4.7 | nM | 8.33 | Displacement of [3H]- NKA from human NK-2 receptor expressed in MEL cells | 9873462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873462 | 10.1016/s0960-894x(98)00037-7 | Substance-K receptor | 2 |
| 9873462 | 10.1016/s0960-894x(98)00037-7 | Cavia porcellus | 2 |
Data from ChEMBL 36 via Core Engine