Synonyms
Status
Molecule Category Free-form
UNII 9UUW4V7G2H
EPA CompTox DTXSID7022700

Structure

InChI Key RHLJLALHBZGAFM-UHFFFAOYSA-N
Smiles 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

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

Target Conservation

Protein: Adrenergic receptor alpha-1

Description: Alpha-1D adrenergic receptor

Organism : Homo sapiens

P25100 ENSG00000171873
Protein: Adrenergic receptor alpha-1

Description: Alpha-1A adrenergic receptor

Organism : Homo sapiens

P35348 ENSG00000120907
Protein: Adrenergic receptor alpha-1

Description: Alpha-1B adrenergic receptor

Organism : Homo sapiens

P35368 ENSG00000170214

Related Entries

Cross References

Resources Reference
ChEBI 135576
ChEMBL CHEMBL188185
DrugBank DB12230
DrugCentral 429
FDA SRS 9UUW4V7G2H
PubChem 2472
SureChEMBL SCHEMBL49348
ZINC ZINC000000601249