Compound Detail
CHEMBL62072
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Basic Information
| ChEMBL ID | CHEMBL62072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOPASBFWKHVOQL-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
185.2
MW (Da)
0.78
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.0
EC50 3 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.43 | 5.215 | 3700.0 | 2 |
| Cavia porcellus CHEMBL369 | EC50 | 4.8 | 4.5567 | 16000.0 | 3 |
| Adrenergic receptor beta; ADRB1 & ADRB3 CHEMBL2097169 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 1000.0 | nM | 6.0 | Compound was tested for its ability to displace [3H]clonidine form alpha-2 adren... | 3020250 |
| Unchecked | Ki | = | 3700.0 | nM | 5.43 | Compound was tested for its ability to displace [3H]WB-4101 form alpha-1 adrener... | 3020250 |
| Unchecked | Ki | = | 10000.0 | nM | 5.0 | Compound was tested for its ability to displace [3H]-prazosin form alpha-1 adren... | 3020250 |
| Cavia porcellus | EC50 | = | 16000.0 | nM | 4.8 | Effective concentration for stimulation of [3H]phosphoinositide formation in gui... | 8254623 |
| Adrenergic receptor beta; ADRB1 & ADRB3 | Ki | = | 19000.0 | nM | 4.72 | Compound was tested for its ability to displace [3H]dihydroalprenolol form beta ... | 3020250 |
| Cavia porcellus | EC50 | = | 35000.0 | nM | 4.46 | Compound was evaluated for its agonist potency by measurement of potentiation of... | 3020250 |
| Cavia porcellus | EC50 | = | 39000.0 | nM | 4.41 | Compound was evaluated for its agonist potency by measurement of contraction of ... | 3020250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3020250 | 10.1021/jm00160a030 | Cavia porcellus | 3 |
| 3020250 | 10.1021/jm00160a030 | Unchecked | 2 |
| 3020250 | 10.1021/jm00160a030 | Adrenergic receptor alpha-2 | 1 |
| 3020250 | 10.1021/jm00160a030 | Adrenergic receptor beta; ADRB1 & ADRB3 | 1 |
| 8254623 | 10.1021/jm00076a024 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine