Compound Detail
CHEMBL324090
ABANOQUIL 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL324090 |
| Name | ABANOQUIL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ANZIISNSHPKVRV-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
3
PK Parameters
5
Publications
2
Known Names
Molecular Properties
395.5
MW (Da)
3.41
ALogP
7
HBA
1
HBD
79.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 6 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 10.1 | 10.03 | 0.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.kg-1 | Homo sapiens |
| MRT | 7.6 | hr | Homo sapiens |
| T1/2 | 5.9 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1D adrenergic receptor | Ki | = | 0.03 | nM | 10.52 | Binding affinity against Alpha-1D adrenergic receptor, from rat clones. | 7658428 |
| Alpha-1A adrenergic receptor | Ki | = | 0.03 | nM | 10.52 | Binding affinity against Alpha-1A adrenergic receptor from bovine clone | 7658428 |
| Alpha-1D adrenergic receptor | Ki | = | 0.04 | nM | 10.4 | Binding affinity against Alpha-1D adrenergic receptor, from human clones. | 7658428 |
| Alpha-1A adrenergic receptor | Ki | = | 0.04 | nM | 10.4 | Binding affinity against Alpha-1A adrenergic receptor from human clone | 7658428 |
| Alpha-1B adrenergic receptor | Ki | = | 0.08 | nM | 10.1 | Binding affinity against Alpha-1B adrenergic receptor from human clone | 7658428 |
| Alpha-1B adrenergic receptor | Ki | = | 0.11 | nM | 9.96 | Binding affinity against Alpha-1B adrenergic receptor from hamster clones. | 7658428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 16033273 | 10.1021/jm0408969 | Unchecked | 3 |
| 7658428 | 10.1021/jm00018a001 | Alpha-1D adrenergic receptor | 2 |
| 7658428 | 10.1021/jm00018a001 | Alpha-1B adrenergic receptor | 2 |
| 7658428 | 10.1021/jm00018a001 | Alpha-1A adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine