Compound Detail
CHEMBL449347
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Basic Information
| ChEMBL ID | CHEMBL449347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXSIOQKZUFLLLE-VSGBNLITSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
5.51
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL3942 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 150.0 | nM | 6.82 | Binding affinity towards Tachykinin receptor 1 binding in guinea pig cerebral co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81197-5 | Substance-P receptor | 3 |
| - | 10.1016/S0960-894X(01)81197-5 | Substance-K receptor | 1 |
| - | 10.1016/S0960-894X(01)81197-5 | Neuromedin-K receptor | 1 |
Data from ChEMBL 36 via Core Engine