Compound Detail
CHEMBL332111
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
Cc1cc(C)cc(C(=O)N2CCC(NCc3ccnc4ccccc34)CC2[C@H](C)c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL332111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDLUBXVKFJCDHI-NRXDVHJQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
6.42
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 30.0 | nM | 7.52 | Tested for the inhibitory potency against Neurokinin 1 NK1 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00623-3 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine