Synonyms:
Status: Approved (1987)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G04CA03
UNII: 8L5014XET7

Structure

InChI Key VCKUSRYTPJJLNI-UHFFFAOYSA-N
Smile COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC
InChI
InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25N5O4
Molecular Weight 387.44
AlogP 1.06
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 103.04
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Primary Target
α1A-adrenoceptor
α1B-adrenoceptor
α1D-adrenoceptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension 3 D006973 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Atherosclerosis 3 D050197 ClinicalTrials
Hypercholesterolemia 3 D006937 ClinicalTrials
Carotid Stenosis 2 D016893 ClinicalTrials
Parkinson Disease 1 D010300 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 63590-64-7
ChEBI 9445
ChEMBL CHEMBL611
DrugBank DB01162
DrugCentral 3584
EPA CompTox DTXSID3023639
FDA SRS 8L5014XET7
Human Metabolome Database HMDB0015293
Guide to Pharmacology 7302
KEGG C07127
PharmGKB PA451612
PubChem 5401
SureChEMBL SCHEMBL6528