Compound Detail
CHEMBL350151
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
COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1)C(=O)CN(C)C
Basic Information
| ChEMBL ID | CHEMBL350151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPOJDIXXCVFYFB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
596.8
MW (Da)
3.62
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 8.81 | 8.81 | 1.5 | 1 |
| Substance-P receptor CHEMBL2668 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Substance-P receptor CHEMBL4027 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 1.54 | nM | 8.81 | Inhibitory activity against Tachykinin receptor 1 in human IM-9 cells using [125... | 8576917 |
| Substance-P receptor | IC50 | = | 200.0 | nM | 6.7 | Inhibitory activity against Tachykinin receptor 1 in mouse brain using [125I]-la... | 8576917 |
| Substance-P receptor | IC50 | = | 480.0 | nM | 6.32 | Inhibitory activity against Tachykinin receptor 1 in rat brain using [125I]-labe... | 8576917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576917 | 10.1021/jm950616c | Substance-P receptor | 4 |
Data from ChEMBL 36 via Core Engine