Compound Detail
CHEMBL187554
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
Basic Information
| ChEMBL ID | CHEMBL187554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIHWPQQGVKFHTC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
3.58
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 67.0 | nM | 7.17 | Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ov... | 15481976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481976 | 10.1021/jm0311487 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine