Compound Detail
CHEMBL22680
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Basic Information
| ChEMBL ID | CHEMBL22680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOQQPVOPNXNAQZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.52
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 5.96 | 5.9567 | 1096.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 1100.0 | nM | 5.96 | Antagonistic activity against human Tachykinin receptor 1 | 7731011 |
| Substance-P receptor | IC50 | = | 1096.48 | nM | 5.96 | Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed... | 9733486 |
| Substance-P receptor | IC50 | = | 1113.0 | nM | 5.95 | Binding affinity at human tachykinin receptor 1 by measuring its ability to disp... | 9804702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7731011 | 10.1021/jm00008a003 | Substance-P receptor | 1 |
| 9804702 | 10.1021/jm980376b | Substance-P receptor | 1 |
| 9733486 | 10.1021/jm9700171 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine