Compound Detail
CHEMBL555572
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Basic Information
| ChEMBL ID | CHEMBL555572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYDCUPIPQXAELR-OINVMNEBSA-N |
| Parent Compound | CHEMBL356062 |
| Active Moiety | CHEMBL356062 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.25
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.4
Ki 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 10.4 | 10.4 | 0.0 | 1 |
| Substance-P receptor CHEMBL249 | Ki | 10.4 | 10.4 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.04 | nM | 10.4 | Antagonist activity at NK1 receptor (unknown origin) | 24075145 |
| Substance-P receptor | Ki | = | 0.03981 | nM | 10.4 | Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chines... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00163-1 | Substance-P receptor | 1 |
| - | 10.1016/0960-894X(96)00163-1 | Mustela putorius furo | 1 |
| 24075145 | 10.1016/j.bmc.2013.09.001 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine