General Information of the Compound
Compound ID
CP0010652
Compound Name
ALFUZOSIN
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Synonyms
Alfusosine
Alfuzosin
Alfuzosin (INN)
Alfuzosin [INN:BAN]
Alfuzosina
Alfuzosina [Spanish]
Alfuzosine
Alfuzosine [French]
Alfuzosinum
Alfuzosinum [Latin]
Alphuzosine
N-(3-((4-Amino-6,7-dimethoxy-2-quinazolinyl)methylamino)propyl)tetrahydro-2-furancarboxamide
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide
N-{3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)(methyl)amino]propyl}tetrahydrofuran-2-carboxamide
Xatral (TN)
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Structure
Formula
C19H27N5O4
Molecular Weight
389.456
Canonical SMILES
COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
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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)
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InChIKey
WNMJYKCGWZFFKR-UHFFFAOYSA-N
CAS
81403-80-7
Physicochemical Property
logP
1.3507
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
111.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2092
SID: 14805133
ChEMBL ID
CHEMBL709
DrugBank ID
DB00346
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12589.25 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 19952.62 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 14870 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Alfuzosin )
Drug Name Alfuzosin
Company Sanofi-Aventis
Indication
Benign prostatic hyperplasia
Approved
Target(s)
Adrenergic receptor alpha-1D (ADRA1D)
 Target Info 
Antagonist