Compound Detail
CHEMBL5631195
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Basic Information
| ChEMBL ID | CHEMBL5631195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGYCJCKQJNBHTQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.07
ALogP
6
HBA
0
HBD
63.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 6.86 | 6.385 | 139.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 139.49 | nM | 6.86 | Displacement of [3H]-SB-222200 from recombinant human NK3R expressed in CHO-K1 c... | 37247507 |
| Neuromedin-K receptor | IC50 | = | 1228.0 | nM | 5.91 | Antagonist activity at human NK3R expressed in HEK293T cells assessed as reducti... | 37247507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37247507 | 10.1016/j.ejmech.2023.115486 | Neuromedin-K receptor | 2 |
| 37247507 | 10.1016/j.ejmech.2023.115486 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine