Structure

InChI Key MGCQZNBCJBRZDT-UHFFFAOYSA-N
Smiles COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl
InChI
InChI=1S/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19ClN2O4
Molecular Weight 290.75
AlogP -0.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 93.81
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-1 agonist AGONIST DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.99-101.74

Target Conservation

Protein: Adrenergic receptor alpha-1

Description: Alpha-1D adrenergic receptor

Organism : Homo sapiens

P25100 ENSG00000171873
Protein: Adrenergic receptor alpha-1

Description: Alpha-1A adrenergic receptor

Organism : Homo sapiens

P35348 ENSG00000120907
Protein: Adrenergic receptor alpha-1

Description: Alpha-1B adrenergic receptor

Organism : Homo sapiens

P35368 ENSG00000170214

Cross References

Resources Reference
ChEBI 31847
ChEMBL CHEMBL1200461
FDA SRS 59JV96YTXV
PubChem 18340
SureChEMBL SCHEMBL41463