UCSF

ZINC00601242

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 33 Yes

Other Names:

azosin

1-(4-Amino-6,7-dimethoxy-2-chinazolinyl)-4-(2,3-dihydro-1,4-benzodioxixin-2-ylcarbonyl)piperazin

1-(4-Amino-6,7-Dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl)piperazin

1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-[4-(1,4-benzodioxan-2-yl)carpiperazin-1-yl)]-6,7-dimethoxyquinazoline mesylate

2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-bis(methyloxy)quinazolin-4-amine

2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine; methanesulfonic acid

2-{4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazin-1-yl}-6,7-dimethoxyquinazolin-4-amine

74191-85-8

77883-43-3 (mesylate)

77883-43-3; Doxazosin mesylate; Prestwick_1026

AC-11062

AC1L1FAT

AC1Q470P

AC1Q4EXN

AKOS001681453

Alfadil

BPBio1_000963

BRD-A13188892-066-03-3

BSPBio_000875

C06970

C23H25N5O5

Cardenalin

Cardular

Cardura

Cardura XL

Cardura XL (TN)

Cardura-1

Cardura-2

Cardura-4

Carduran

Carduran Neo

CHEBI:4708

CHEMBL707

ChemDiv2_005017

CID3157

CPD000097306

CPD000097306; Doxazosin; SAM002589981

D07874

D9815_SIGMA

DAP000381

DB00590

Dedralen

Diblocin

Doxazosin

Doxazosin (BAN

Doxazosin (INN)

Doxazosin HCl

Doxazosin Mesylate (FDA

Doxazosin [INN:BAN]

Doxazosina

Doxazosina [Spanish]

Doxazosine

Doxazosine [French]

Doxazosinum

Doxazosinum [Latin]

HMS1383E01

HMS2090C20

I06-1346

IDI1_003732

INN); Doxazosin Mesilate (JAN)

INN); Doxazosin Mesilate (JAN); Doxazosin Mesylate (FDA

INN); Doxazosin Mesylate (FDA

L000738

LS-110228

Methanone, [4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl](2,3-dihydro-1,4-benzodioxin-2-yl)-

MFCD00216023

MFCD03840627

MolPort-001-684-491

N/A

NCGC00018158-06

NCGC00089775-02

Normothen

Oprea1_259518

Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-

Prestwick0_000858

Prestwick1_000858

Prestwick2_000858

Prestwick3_000858

Progandol

SAM002589981

SPBio_002796

Supressin

Tensiobas

UK 33274

UK-33274

UK-33274-27

UK-3327427; UK-33274-27

UNII-NW1291F1W8

USAN)

USAN); Doxazosin (BAN

USAN); Doxazosin Mesilate (JAN)

Zoxan

[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazin-1-yl]-(2,3-dihydro-benzo[1,4]dioxin-2-yl)-methanone

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.08 9.59 -42.69 3 10 1 114 452.491 4
Hi High (pH 8-9.5) 2.08 9.28 -18.46 2 10 0 112 451.483 4

Vendor Notes

Note Type Comments Provided By
biological_use Antihypertensive agent ZereneX Building Blocks
MP 279 - 281 Enamine Building Blocks
MP 279...281 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
mechanism alpha-1-Adrenoceptor antagonist IBScreen Bioactives IBScreen Bioactives
mechanism Alters serum lipid profile via increase in LDL-receptor activity and other effects IBScreen Bioactives
Indications antihypertensive KeyOrganics Bioactives
biological_use Antihypertensive agent IBScreen Bioactives IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-1598; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-1598; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
biological_use Used in the treatment of benign prostatic hyperplasia IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA1A-1-E Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 3 0.36 Binding ≤ 10μM
ADA1B-1-E Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.38 Binding ≤ 10μM
ADA1D-1-E Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 1 0.38 Binding ≤ 10μM
ADA2A-1-E Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 729 0.26 Binding ≤ 10μM
ADA2C-1-E Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 280 0.28 Binding ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 589 0.26 Binding ≤ 10μM
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 3 0.36 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3162 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 1.1 0.38 Binding ≤ 1μM
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 0.537031796 0.39 Binding ≤ 1μM
ADA1B_HUMAN P35368 Alpha-1b Adrenergic Receptor, Human 0.74 0.39 Binding ≤ 1μM
ADA1D_HUMAN P25100 Alpha-1d Adrenergic Receptor, Human 0.812830516 0.39 Binding ≤ 1μM
ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 729 0.26 Binding ≤ 1μM
ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 280 0.28 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 588.843655 0.26 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 1.1 0.38 Binding ≤ 10μM
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 0.537031796 0.39 Binding ≤ 10μM
ADA1B_HUMAN P35368 Alpha-1b Adrenergic Receptor, Human 0.74 0.39 Binding ≤ 10μM
ADA1D_HUMAN P25100 Alpha-1d Adrenergic Receptor, Human 0.812830516 0.39 Binding ≤ 10μM
ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 729 0.26 Binding ≤ 10μM
ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 280 0.28 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 588.843655 0.26 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1258.92541 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
Adrenoceptors
G alpha (12/13) signalling events
G alpha (i) signalling events
G alpha (q) signalling events
G alpha (z) signalling events
Voltage gated Potassium channels

Analogs ( Draw Identity 99% 90% 80% 70% )