Structure

InChI Key YTNKWDJILNVLGX-UHFFFAOYSA-N
Smiles COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl
InChI
InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28ClN5O4
Molecular Weight 425.92
AlogP 1.35
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 111.83
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-1 agonist AGONIST DailyMed

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 32286
ChEMBL CHEMBL1723
FDA SRS 75046A1XTN
Guide to Pharmacology 7109
KEGG D07124
PubChem 71764
SureChEMBL SCHEMBL179910
ZINC ZINC01843099