Compound Detail
CHEMBL295425
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
O=C(N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccccc2)C1)c1cc(O)nc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL295425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUVYYIIVCVDGFW-XZOQPEGZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
601.5
MW (Da)
6.62
ALogP
4
HBA
2
HBD
82.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retina | - |
| Neuromedin-K receptor | IC50 | = | 450.0 | nM | 6.35 | Compound was tested for inhibition of [125I]eledoisin radioligand binding to NK3... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00287-9 | Substance-P receptor | 2 |
| - | 10.1016/0960-894X(96)00287-9 | U373 MG | 1 |
| - | 10.1016/0960-894X(96)00287-9 | Substance-K receptor | 1 |
| - | 10.1016/0960-894X(96)00287-9 | Neuromedin-K receptor | 1 |
| - | 10.1016/0960-894X(96)00287-9 | Gerbillinae | 1 |
Data from ChEMBL 36 via Core Engine