Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G04CA01
UNII: 90347YTW5F

Structure

InChI Key WNMJYKCGWZFFKR-UHFFFAOYSA-N
Smile COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC
InChI
InChI=1S/C19H27N5O4/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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27N5O4
Molecular Weight 389.46
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

Primary Target
α1A-adrenoceptor
α1B-adrenoceptor
α1D-adrenoceptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Hyperplasia 4 D011470 ClinicalTrials
Prostatitis 3 D011472 ClinicalTrials
Urinary Bladder, Neurogenic 3 D001750 ClinicalTrials
Urinary Retention 3 D016055 ClinicalTrials
Kidney Calculi 3 D007669 ClinicalTrials
Multiple Sclerosis 2 D009103 ClinicalTrials
Constipation 2 D003248 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 81403-80-7
ChEBI 51141
ChEMBL CHEMBL709
DrugBank DB00346
DrugCentral 115
EPA CompTox DTXSID6048549
FDA SRS 90347YTW5F
Human Metabolome Database HMDB0014490
Guide to Pharmacology 7109
PharmGKB PA164774795
PubChem 2092
SureChEMBL SCHEMBL34477