Structure

InChI Key OGIYDFVHFQEFKQ-UHFFFAOYSA-N
Smile CS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
InChI
InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23N3O4S
Molecular Weight 377.47
AlogP 2.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 47.86
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Cardiovascular Diseases 1 D002318 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1200873
EPA CompTox DTXSID60215315
FDA SRS Y7543E5K9T
SureChEMBL SCHEMBL40852