Compound Detail
CHEMBL2110596
AZAPETINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2110596 |
| Name | AZAPETINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYGHGTMKALXFIA-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
2
Known Names
1
Indications
Molecular Properties
235.3
MW (Da)
3.86
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Cardiovascular Diseases
ATC Classification
C04AX30
azapetine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: PERIPHERAL VASODILATORS
Activity Summary
Kd 3 meas. best 6.96
IC50 2 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL2094251 | Kd | 6.96 | 6.96 | 109.7 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.69 | 6.69 | 205.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Kd | 6.09 | 6.09 | 812.8 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 4.88 | 4.88 | 13182.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Kd | = | 109.65 | nM | 6.96 | In vitro antagonist activity against (-)-phenylephrine or (-)-norepinephrine-ind... | 6142954 |
| Adrenergic receptor alpha-1 | IC50 | = | 205.0 | nM | 6.69 | Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alp... | 6142954 |
| Adrenergic receptor alpha-1 | Kd | = | 812.83 | nM | 6.09 | Antagonist activity against phenylephrine-induced alpha1- adrenoceptor mediated ... | 6142954 |
| Adrenergic receptor alpha-2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes alp... | 6142954 |
| Adrenergic receptor alpha-2 | Kd | = | 13182.57 | nM | 4.88 | Antagonist activity against B-HT 933-induced alpha-2-adrenoceptor-mediated vasoc... | 6142954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6142954 | 10.1021/jm00370a011 | Adrenergic receptor alpha-1 | 3 |
| 6142954 | 10.1021/jm00370a011 | Adrenergic receptor alpha-2 | 3 |
| 6142954 | 10.1021/jm00370a011 | Adrenergic receptor alpha | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 6142954 | 10.1021/jm00370a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine