Compound Detail
CHEMBL1306947
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Basic Information
| ChEMBL ID | CHEMBL1306947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCHZFERVLGNYKB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
3.97
ALogP
5
HBA
0
HBD
58.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Ki 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Neuromedin-K receptor CHEMBL4429 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2833 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 1100.0 | nM | 5.96 | Antagonist activity at human recombinant NK3 receptor expressed in CHO cells ass... | 21376585 |
| Neuromedin-K receptor | Ki | = | 1800.0 | nM | 5.75 | 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