Compound Detail
CHEMBL1760333
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Basic Information
| ChEMBL ID | CHEMBL1760333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRKQSXRRQJSZEC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
2.56
ALogP
5
HBA
2
HBD
104.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Ki 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | Ki | 6.62 | 6.62 | 240.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4833 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 80.0 | nM | 7.1 | Antagonist activity at human recombinant NK3 receptor expressed in CHO cells ass... | 21376585 |
| Neuromedin-K receptor | Ki | = | 240.0 | nM | 6.62 | Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in C... | 21376585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21376585 | 10.1016/j.bmcl.2011.02.033 | Neuromedin-K receptor | 2 |
| 21376585 | 10.1016/j.bmcl.2011.02.033 | Liver microsomes | 1 |
| 21376585 | 10.1016/j.bmcl.2011.02.033 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine