General Information of the Compound
Compound ID
CP0049024
Compound Name
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)piperazine
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Synonyms
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)piperazine
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tetrahydro-2-furoyl)piperazine
6,7-bis(methyloxy)-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]quinazolin-4-amine
6,7-dimethoxy-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]quinazolin-4-amine
A 45975
A-45975
Abbott 45975
Blavin
Flumarc
Fosfomic
Hytracin
Hytrin
Hytrin (TN)
Terazosabb
Terazosabb (TN)
Terazosin
Terazosin (INN)
Terazosin [INN:BAN]
Terazosina
Terazosina [INN-Spanish]
Terazosine
Terazosine [INN-French]
Terazosinum
Terazosinum [INN-Latin]
Trazosin HCl
Vasomet
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](tetrahydrofuran-2-yl)methanone
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
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Structure
Formula
C19H25N5O4
Molecular Weight
387.44
Canonical SMILES
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
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InChI
InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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InChIKey
VCKUSRYTPJJLNI-UHFFFAOYSA-N
CAS
63590-64-7
Physicochemical Property
logP
1.0568
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
103.04
Hydrogen Bond Donor Count
1
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: 5401
SID: 14805011
ChEMBL ID
CHEMBL611
DrugBank ID
DB01162
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: PT01089, Alpha-1A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 4.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 51 nM
2 Ki = 2 nM
3 Ki = 4 nM
4 Ki = 4.2 nM
5 Ki = 6.9 nM
6 Ki = 6.918 nM
7 Ki = 7.3 nM
8 Ki = 39.81 nM
Protein ID: PT01007, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1.73 nM
   TI
   LI
   LO
   TS
CL000440 LM Homo sapiens (Human)  1
1
Ki = 1.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 0.5 nM
2 Ki = 1.2 nM
3 Ki = 1.95 nM
4 Ki = 2.2 nM
5 Ki = 2.512 nM
6 Ki = 2.6 nM
7 Ki = 2.68 nM
8 Ki = 30 nM
Protein ID: PT01849, Alpha-1B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 0.69 nM
   TI
   LI
   LO
   TS
Protein ID: PT02075, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 1.01 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 1.479 nM
2 Ki = 3.4 nM
3 Ki = 35 nM
Protein ID: PT01004, Alpha-1D adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.85 nM
2 Ki = 2 nM
3 Ki = 3.467 nM
4 Ki = 3.5 nM
5 Ki = 3.7 nM
6 Ki = 3.981 nM
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 36800 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 23700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Terazosin )
Drug Name Terazosin
Company Abbott Laboratories
Indication
Benign prostatic hyperplasia
Approved
Target(s)
Adrenergic receptor alpha-1D (ADRA1D)
Antagonist