Compound Detail
CHEMBL557983
VOFOPITANT DIHYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL557983 |
| Name | VOFOPITANT DIHYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVNRXILPJNISEM-FFUVTKDNSA-N |
| Parent Compound | CHEMBL522302 |
| Active Moiety | CHEMBL522302 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
3
Known Names
Molecular Properties
432.4
MW (Da)
3.27
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
Ki 2 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 10.6 | 10.6 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 0.02512 | nM | 10.6 | Inhibition of [3H]-substance P binding to human NK1 receptor expressed in chines... | - |
| Substance-P receptor | Ki | = | 0.02512 | nM | 10.6 | Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins b... | 21944973 |
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 |
| 21944973 | 10.1016/j.bmc.2011.08.070 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine