Compound Detail
CHEMBL280849
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Basic Information
| ChEMBL ID | CHEMBL280849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMZAFOWPUFTKBQ-NSOVKSMOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
5.81
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.68 | 7.68 | 20.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 21.0 | nM | 7.68 | Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in C... | - |
| Substance-P receptor | IC50 | = | 20.89 | nM | 7.68 | Binding affinity was measured against the Tachykinin receptor 1 in CHO-expressed... | 9733486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80349-2 | Substance-P receptor | 1 |
| 9733486 | 10.1021/jm9700171 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine