Compound Detail
CHEMBL4129778
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Basic Information
| ChEMBL ID | CHEMBL4129778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYORREQAOMXWFD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4300756 |
| Active Moiety | CHEMBL4300756 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
5.65
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1 adrenergic receptor CHEMBL2111452 | IC50 | 6.15 | 6.15 | 711.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1 adrenergic receptor | IC50 | = | 711.0 | nM | 6.15 | Displacement of [3H]prazosin from alpha1 adrenoceptor in C57BL/6 mouse hippocamp... | 28624702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28624702 | 10.1016/j.ejmech.2017.06.011 | Alpha-1 adrenergic receptor | 13 |
| 28624702 | 10.1016/j.ejmech.2017.06.011 | Mus musculus | 6 |
Data from ChEMBL 36 via Core Engine