Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9UUW4V7G2H

Structure

InChI Key RHLJLALHBZGAFM-UHFFFAOYSA-N
Smile CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1
InChI
InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27N5O3
Molecular Weight 373.46
AlogP 2.07
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 93.81
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha-1 antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 60000 - - -

Indications

Mesh Heading Maximum Phase Reference
Essential Hypertension; Hypertension Phase 4 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 80755-51-7
ChEBI 135576
ChEMBL CHEMBL188185
DrugBank DB12230
DrugCentral 429
EPA CompTox DTXSID7022700
FDA SRS 9UUW4V7G2H
PubChem 2472
SureChEMBL SCHEMBL49348
ZINC ZINC000000601249