Compound Detail
CHEMBL208185
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Basic Information
| ChEMBL ID | CHEMBL208185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLOWRHHPLNNIIQ-IBGZPJMESA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
2.69
ALogP
7
HBA
2
HBD
78.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL3252 | Ki | 7.3 | 6.48 | 50.1 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | Ki | = | 50.12 | nM | 7.3 | Antagonist activity at rat wild type beta-1 adrenergic receptor expressed in CHO... | 16759089 |
| Beta-1 adrenergic receptor | Ki | = | 79.43 | nM | 7.1 | Antagonist activity at rat beta-1 adrenergic receptor W134A mutant expressed in ... | 16759089 |
| Beta-1 adrenergic receptor | Ki | = | 100.0 | nM | 7.0 | Antagonist activity at rat beta-1 adrenergic receptor Y356F mutant expressed in ... | 16759089 |
| Beta-1 adrenergic receptor | Ki | = | 794.33 | nM | 6.1 | Antagonist activity at rat beta-1 adrenergic receptor Y356A mutant expressed in ... | 16759089 |
| Beta-1 adrenergic receptor | Ki | = | 12589.25 | nM | 4.9 | Antagonist activity at rat beta-1 adrenergic receptor S190A mutant expressed in ... | 16759089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759089 | 10.1021/jm050624l | Beta-1 adrenergic receptor | 5 |
Data from ChEMBL 36 via Core Engine