Compound Detail
CHEMBL542044
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Basic Information
| ChEMBL ID | CHEMBL542044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYZFNHIPYBWJQP-KBVFCZPLSA-N |
| Parent Compound | CHEMBL1191008 |
| Active Moiety | CHEMBL1191008 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.21
ALogP
7
HBA
2
HBD
76.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 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 | 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 |
Data from ChEMBL 36 via Core Engine