Compound Detail

CHEMBL1226

AMINODIMETHOXYQUINAZOLINYLPIPERAZINE

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1226
Name	AMINODIMETHOXYQUINAZOLINYLPIPERAZINE
Phase	Preclinical
Structure Type	MOL
InChI Key	APKHJGDGWQDBGM-UHFFFAOYSA-N

Aminodimethoxyquinazolinylpiperazine (piperazine derivative of terazosin)

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

289.3

MW (Da)

0.64

ALogP

HBA

HBD

85.5

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.47

EC50 3 meas. best 4.15

Kd 2 meas. best 4.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Adrenergic receptor alpha-1 CHEMBL1907610	IC50	6.47	6.47	340.0	1
Ubiquitin-conjugating enzyme E2 N CHEMBL6089	IC50	6.06	5.945	873.0	2
Bcl-2-related protein A1 CHEMBL1293239	IC50	4.96	4.96	11100.0	1
Apoptotic protease-activating factor 1 CHEMBL1795093	IC50	4.5	4.5	31500.0	1
Unchecked CHEMBL612545	Kd	4.3	4.3	50000.0	2
Hepatitis C virus CHEMBL379	EC50	4.15	4.15	71000.0	1
Influenza B virus CHEMBL613129	EC50	4.15	4.15	71000.0	1
Influenza A virus CHEMBL613740	EC50	4.15	4.15	71000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Adrenergic receptor alpha-1	IC50	=	340.0	nM	6.47	Inhibition of Alpha-1 adrenergic receptor in rat cortex membrane	9986714
Ubiquitin-conjugating enzyme E2 N	IC50	=	873.0	nM	6.06	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U...	-
Ubiquitin-conjugating enzyme E2 N	IC50	=	1496.0	nM	5.83	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U...	-
Bcl-2-related protein A1	IC50	=	11100.0	nM	4.96	PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors u...	-
Apoptotic protease-activating factor 1	IC50	=	31500.0	nM	4.5	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore...	-
Unchecked	Kd	=	50500.0	nM	4.3	Binding affinity to HCV promoter RNA by NMR-based fragment screening assay	31534649
Unchecked	Kd	=	50000.0	nM	4.3	Binding affinity to influenza A virus RNA by one-dimensional NMR spectroscopy me...	37186875
Hepatitis C virus	EC50	=	71000.0	nM	4.15	Antiviral activity against HCV infected in MDCK cells assessed as reduction in v...	31534649
Influenza A virus	EC50	=	71000.0	nM	4.15	Antiviral activity against Influenza A virus assessed as inhibition of virus-ind...	37186875
Influenza B virus	EC50	=	71000.0	nM	4.15	Antiviral activity against Influenza B virus assessed as inhibition of virus-ind...	37186875

PubMed	DOI	Target Context	# Activities
15633998	10.1021/jm049153d	LNCaP	2
9986714	10.1021/jm9805337	Adrenergic receptor alpha-1	1
9986714	10.1021/jm9805337	Adrenergic receptor alpha-2	1
9986714	10.1021/jm9805337	D(2) dopamine receptor	1
9986714	10.1021/jm9805337	5-hydroxytryptamine receptor 1A	1
9986714	10.1021/jm9805337	5-hydroxytryptamine receptor 2A	1
31534649	10.1039/C9MD00195F	Hepatitis C virus	1
31534649	10.1039/C9MD00195F	Unchecked	1
37186875	10.1021/acs.jmedchem.3c00034	Unchecked	1
37186875	10.1021/acs.jmedchem.3c00034	Influenza A virus	1
37186875	10.1021/acs.jmedchem.3c00034	Influenza B virus	1

Data from ChEMBL 36 via Core Engine