Compound Detail
CHEMBL41068
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
CCOC(=O)C1CCN(C(=O)CN2CCN(CCC(/C(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)=N/OC)c3ccc(Cl)c(Cl)c3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL41068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARGUIKFIPCGABR-HOGWAELTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
783.6
MW (Da)
7.14
ALogP
8
HBA
0
HBD
83.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 6.39 | 6.39 | 409.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 24.0 | nM | 7.62 | Inhibitory activity against human tachykinin receptor 1 | 11055350 |
| Substance-K receptor | Ki | = | 409.0 | nM | 6.39 | Inhibitory activity against human tachykinin receptor 2 | 11055350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11055350 | 10.1016/s0960-894x(00)00464-9 | Substance-P receptor | 1 |
| 11055350 | 10.1016/s0960-894x(00)00464-9 | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine