BUNAZOSIN

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Search structure


Synonyms	Bunazosin Bunazosin hydrochloride
Status
Molecule Category	UNKNOWN
UNII	9UUW4V7G2H
EPA CompTox	DTXSID7022700


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Bioactivity

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


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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel	-	60000	-	-	-

Related Entries

Cross References

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

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).