Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H30ClN5O6
Molecular Weight 459.93
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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Dementia 1 D003704 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.6
Nervous system disorders
13.74
Vascular disorders
9.8
Cardiac disorders
8.84
Renal and urinary disorders
7.48
Skin and subcutaneous tissue disorders
6.53
Injury, poisoning and procedural complications
4.49
Gastrointestinal disorders
4.08
Investigations
4.08
Musculoskeletal and connective tissue disorders
3.4
Eye disorders
3.27
Immune system disorders
3.13
Psychiatric disorders
3.13
Respiratory, thoracic and mediastinal disorders
2.72

Cross References

Resources Reference
ChEBI 9446
ChEMBL CHEMBL3989562
FDA SRS D32S14F082
Guide to Pharmacology 7302
KEGG C07127
PubChem 63016
SureChEMBL SCHEMBL41544
ZINC ZINC01271441