Compound Detail
CHEMBL511930
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Basic Information
| ChEMBL ID | CHEMBL511930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFIDHISLMOJQRL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.56
ALogP
7
HBA
1
HBD
76.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.74
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 8.74 | 8.74 | 1.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 1.82 | nM | 8.74 | Antagonist activity at alpha1-adrenergic receptor in Wistar rat endothelium denu... | 23683590 |
| Unchecked | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of prazosin uptake at transport-P transporter protein in mouse GT1-1 ... | 18625562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18625562 | 10.1016/j.bmc.2008.06.037 | Unchecked | 5 |
| 23683590 | 10.1016/j.bmcl.2013.04.054 | Unchecked | 1 |
| 23683590 | 10.1016/j.bmcl.2013.04.054 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine