Compound Detail
CHEMBL71647
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Basic Information
| ChEMBL ID | CHEMBL71647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVTHAPWFCZUPEF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
4.26
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.11
Kd 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.9 | 8.9 | 1.3 | 1 |
| Substance-K receptor CHEMBL2327 | IC50 | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 1.259 | nM | 8.9 | Ability to antagonise the contractile effects of the selective NK2 receptor agon... | 12798336 |
| Substance-K receptor | IC50 | = | 7.7 | nM | 8.11 | Binding affinity for human tachykinin receptor 2 expressed in CHO cells using [1... | 12798336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12798336 | 10.1016/s0960-894x(03)00343-3 | Substance-K receptor | 1 |
| 12798336 | 10.1016/s0960-894x(03)00343-3 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine