Structure

InChI Key WFXFYZULCQKPIP-UHFFFAOYSA-N
Smile COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl
InChI
InChI=1S/C19H21N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22ClN5O4
Molecular Weight 419.87
AlogP 1.78
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 106.95
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha-1 antagonist DailyMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8365
ChEMBL CHEMBL1558
EPA CompTox DTXSID50172822
FDA SRS X0Z7454B90
SureChEMBL SCHEMBL41257