Compound Detail
CHEMBL139558
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Basic Information
| ChEMBL ID | CHEMBL139558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPWMVUCHZLFYDN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
5.14
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 12.6 | nM | 7.9 | Binding affinity at human tachykinin receptor 1 by measuring its ability to disp... | 9804702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9804702 | 10.1021/jm980376b | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine