Compound Detail
CHEMBL60459
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Basic Information
| ChEMBL ID | CHEMBL60459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNERFHNEKHXCAW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.06
ALogP
3
HBA
2
HBD
48.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-K receptor CHEMBL4554 | Ki | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-K receptor | Ki | = | 31.62 | nM | 7.5 | Binding affinity by displacement of radiolabeled GR-100679 from Tachykinin recep... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80541-2 | Substance-K receptor | 1 |
Data from ChEMBL 36 via Core Engine