Compound Detail

CHEMBL282614

ELTOPRAZINE

🧪 Phase II

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🧪 Phase II

c1cc2c(c(N3CCNCC3)c1)OCCO2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL282614
Name	ELTOPRAZINE
Phase	Phase II
Structure Type	MOL
InChI Key	WVLHGCRWEHCIOT-UHFFFAOYSA-N

Known Names

DU-28853 Eltoprazina Eltoprazine

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

220.3

MW (Da)

0.87

ALogP

HBA

HBD

33.7

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C12H16N2O2
MW	220.27
Aromatic Rings	1
Heavy Atoms	16
NP-Likeness	-0.68

Activity Summary

Ki 8 meas. best 8.03

Kd 2 meas. best 4.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
5-hydroxytryptamine receptor 1A CHEMBL273	Ki	8.03	7.505	9.3	6
5-hydroxytryptamine receptor 1B CHEMBL3459	Ki	7.27	7.27	53.7	1
D(2) dopamine receptor CHEMBL339	Ki	5.96	5.96	1100.0	1
Beta-1 adrenergic receptor CHEMBL213	Kd	4.8	4.8	15848.9	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
5-hydroxytryptamine receptor 1A	Ki	=	9.333	nM	8.03	Binding affinity at 5-hydroxytryptamine 1A receptor	7562940
5-hydroxytryptamine receptor 1A	Ki	=	40.0	nM	7.4	Displacement of [3H]2-(di-N-propylamino)-8-hydroxytetralin from central 5-hydrox...	7783126
5-hydroxytryptamine receptor 1A	Ki	=	40.0	nM	7.4	Binding affinity was evaluated by determining in vitro displacement of [3H]8-OH-...	9022796
5-hydroxytryptamine receptor 1A	Ki	=	39.81	nM	7.4	Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) r...	8568799
5-hydroxytryptamine receptor 1A	Ki	=	40.0	nM	7.4	Displacement of radioligand [3H]2-(di-N-propylamino)-8-hydroxytetralin from 5-hy...	8410989
5-hydroxytryptamine receptor 1A	Ki	=	40.0	nM	7.4	Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-...	8064803
5-hydroxytryptamine receptor 1B	Ki	=	53.7	nM	7.27	Binding affinity at 5-hydroxytryptamine 1B receptor	7562940
D(2) dopamine receptor	Ki	=	1100.0	nM	5.96	In vitro displacement of [3H]spiperone from Dopamine receptor D2 binding site in...	9022796
Beta-1 adrenergic receptor	Kd	=	15848.93	nM	4.8	Binding affinity to His-tagged human beta1 adrenergic receptor expressed in HEK2...	23517028
Beta-1 adrenergic receptor	Kd	=	16000.0	nM	4.8	Binding affinity to His-tagged human beta1 adrenergic receptor expressed in HEK2...	23517028

Literature References

PubMed	DOI	Target Context	# Activities
8410989	10.1021/jm00071a006	ADMET	6
7562940	10.1021/jm00020a020	Rattus norvegicus	5
1336053	10.1021/jm00104a006	Rattus norvegicus	4
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
1336053	10.1021/jm00104a006	Mus musculus	2
23517028	10.1021/jm400140q	Beta-1 adrenergic receptor	2
18033297	10.1038/nature05991	Caenorhabditis elegans	2
8568799	10.1021/jm950410b	5-hydroxytryptamine receptor 1A	1
-	10.1007/s00044-012-9977-1	Whole blood	1
8064803	10.1021/jm00043a015	5-hydroxytryptamine receptor 1A	1
8410989	10.1021/jm00071a006	5-hydroxytryptamine receptor 1A	1
7562940	10.1021/jm00020a020	5-hydroxytryptamine receptor 1A	1
9022796	10.1021/jm960496o	D(2) dopamine receptor	1
9022796	10.1021/jm960496o	5-hydroxytryptamine receptor 1A	1
7783126	10.1021/jm00011a014	5-hydroxytryptamine receptor 1A	1
7562940	10.1021/jm00020a020	Unchecked	1
7562940	10.1021/jm00020a020	5-hydroxytryptamine receptor 1B	1

Data from ChEMBL 36 via Core Engine