Compound Detail
CHEMBL4636550
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Basic Information
| ChEMBL ID | CHEMBL4636550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYAOIRISFNRFCT-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
3.28
ALogP
3
HBA
2
HBD
36.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Kd 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor CHEMBL1916 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Complement factor B CHEMBL5731 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Complement factor B CHEMBL5731 | Kd | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2C adrenergic receptor | IC50 | = | 180.0 | nM | 6.75 | Inhibition of adrenergic receptor alpha2c (unknown origin) | 32073845 |
| Alpha-1A adrenergic receptor | IC50 | = | 300.0 | nM | 6.52 | Inhibition of adrenergic receptor alpha1a (unknown origin) | 32073845 |
| Complement factor B | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of human serine protease factor B catalytic domain (D470 to L764 resi... | 32073845 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of human ERG by radioligand binding assay | 32073845 |
| Complement factor B | Kd | = | 10000.0 | nM | 5.0 | Binding affinity to human serine protease factor B by SPR assay | 32073845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32073845 | 10.1021/acs.jmedchem.9b01870 | Complement factor B | 2 |
| 32073845 | 10.1021/acs.jmedchem.9b01870 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 32073845 | 10.1021/acs.jmedchem.9b01870 | Alpha-1A adrenergic receptor | 1 |
| 32073845 | 10.1021/acs.jmedchem.9b01870 | Alpha-2C adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine