Compound Detail
CHEMBL5631018
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Basic Information
| ChEMBL ID | CHEMBL5631018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGMWMUFWDKWDRP-GFCCVEGCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
3.32
ALogP
7
HBA
1
HBD
92.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-K receptor CHEMBL4429 | IC50 | 8.18 | 7.97 | 6.6 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.76 | 5.76 | 1750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-K receptor | IC50 | = | 6.6 | nM | 8.18 | Displacement of [3H]-SB-222200 from recombinant human NK3R expressed in CHO-K1 c... | 37247507 |
| Neuromedin-K receptor | IC50 | = | 17.26 | nM | 7.76 | Antagonist activity at human NK3R expressed in HEK293T cells assessed as reducti... | 37247507 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1750.0 | nM | 5.76 | Inhibition of human ERG expressed in CHO-K1 cells measured every 20 sec by autom... | 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