Compound Detail

CHEMBL10085

MAZAPERTINE

🧪 Phase II

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🧪 Phase II

CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL10085
Name	MAZAPERTINE
Phase	Phase II
Structure Type	MOL
InChI Key	ZKZFPRUSWCYSGT-UHFFFAOYSA-N

Known Names

Mazapertina Mazapertine RWJ-377796

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

421.6

MW (Da)

4.42

ALogP

HBA

HBD

36.0

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Year

1994

Extended Properties

Molecular Formula	C26H35N3O2
MW	421.59
Aromatic Rings	2
Heavy Atoms	31
NP-Likeness	-1.53

Activity Summary

Ki 29 meas. best 10.7

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Alpha-1A adrenergic receptor CHEMBL229	Ki	10.7	10.7	0.0	1
Alpha-1A adrenergic receptor CHEMBL319	Ki	9.7	9.7	0.2	1
Adrenergic receptor alpha-1 CHEMBL1907610	Ki	8.89	8.64	1.3	4
Adrenergic receptor alpha-1 CHEMBL2094251	Ki	8.89	8.89	1.3	1
5-hydroxytryptamine receptor 1A CHEMBL214	Ki	8.77	8.77	1.7	1
5-hydroxytryptamine receptor 1A CHEMBL273	Ki	8.77	8.77	1.7	5
D(3) dopamine receptor CHEMBL3138	Ki	8.74	8.74	1.8	1
D(3) dopamine receptor CHEMBL234	Ki	8.74	8.74	1.8	1
D(2) dopamine receptor CHEMBL339	Ki	8.66	8.66	2.2	5
D(2) dopamine receptor CHEMBL217	Ki	8.66	8.66	2.2	1
Unchecked CHEMBL612545	Ki	7.77	7.275	17.0	2
Adrenergic receptor alpha-2 CHEMBL2093864	Ki	7.77	7.77	17.0	1
Alpha-1B adrenergic receptor CHEMBL232	Ki	7.33	7.33	47.0	1
Alpha-1B adrenergic receptor CHEMBL315	Ki	7.33	7.33	47.0	1
Serotonin 2 (5-HT2) receptor CHEMBL2093870	Ki	6.78	6.78	165.0	1
5-hydroxytryptamine receptor 1B CHEMBL3459	Ki	5.54	5.54	2880.0	1
5-hydroxytryptamine receptor 1B CHEMBL1898	Ki	5.54	5.54	2880.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Alpha-1A adrenergic receptor	Ki	=	0.02	nM	10.7	Binding affinity to adrenergic alpha1A receptor	18378462
Alpha-1A adrenergic receptor	Ki	=	0.2	nM	9.7	Binding affinity towards alpha-1A adrenergic receptors using alpha-1A ligand WB-...	7909336
Adrenergic receptor alpha-1	Ki	=	1.3	nM	8.89	Binding affinity against Alpha-1 adrenergic receptor from rat cerebral cortex	9622541
Adrenergic receptor alpha-1	Ki	=	1.3	nM	8.89	Binding affinity towards alpha-1 adrenergic receptor using [3H]prazosin as radio...	7473548
Adrenergic receptor alpha-1	Ki	=	1.3	nM	8.89	Binding affinity towards alpha-1 adrenergic receptors in rat brain synaptosomal ...	7909336
Adrenergic receptor alpha-1	Ki	=	1.3	nM	8.89	Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic rec...	-
5-hydroxytryptamine receptor 1A	Ki	=	1.7	nM	8.77	Compound was evaluated for its binding affinity against 5-hydroxytryptamine 1A r...	9622541
5-hydroxytryptamine receptor 1A	Ki	=	1.7	nM	8.77	Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A...	-
5-hydroxytryptamine receptor 1A	Ki	=	1.7	nM	8.77	Binding affinity towards 5-hydroxytryptamine 1A receptor of rat brain synaptosom...	7909336
5-hydroxytryptamine receptor 1A	Ki	=	1.7	nM	8.77	Affinity against the 5-hydroxytryptamine receptor 1A using [3H]WB-4101.	7473548
5-hydroxytryptamine receptor 1A	Ki	=	1.7	nM	8.77	Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3...	7473547
5-hydroxytryptamine receptor 1A	Ki	=	1.7	nM	8.77	In vitro ability to displace serotonin 5-HT1A receptor binding to rat cerebral c...	-
D(3) dopamine receptor	Ki	=	1.8	nM	8.74	Binding affinity towards baculovirus expressed rat dopamine D3 receptors	7909336
D(3) dopamine receptor	Ki	=	1.8	nM	8.74	Compound was measured in vivo for its binding affinity at Dopamine receptor D3 u...	-
D(2) dopamine receptor	Ki	=	2.2	nM	8.66	In vitro ability to displace Dopamine D2 receptor binding to rat striatal membra...	-
D(2) dopamine receptor	Ki	=	2.2	nM	8.66	Compound was measured in vivo for its binding affinity at Dopamine receptor D2 u...	-
D(2) dopamine receptor	Ki	=	2.2	nM	8.66	Binding affinity towards dopamine D2 receptors in rat brain synaptosomal prepara...	7909336
D(2) dopamine receptor	Ki	=	2.2	nM	8.66	Affinity against the dopamine receptor D2 using [3H]spiperinone.	7473548
D(2) dopamine receptor	Ki	=	2.2	nM	8.66	Binding affinity against Dopamine receptor D2 from rat striatum	9622541
D(2) dopamine receptor	Ki	=	2.2	nM	8.66	Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone	7473547

Literature References

PubMed	DOI	Target Context	# Activities
9622541	10.1021/jm970164z	Rattus norvegicus	7
7909336	10.1021/jm00034a003	Rattus norvegicus	5
18378462	10.1016/j.bmc.2008.02.091	Unchecked	3
7473548	10.1021/jm00021a010	Rattus norvegicus	3
7909336	10.1021/jm00034a003	Canis familiaris	2
7473547	10.1021/jm00021a009	Rattus norvegicus	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.1016/S0960-894X(97)00336-3	Rattus norvegicus	2
9622541	10.1021/jm970164z	5-hydroxytryptamine receptor 1A	1
7909336	10.1021/jm00034a003	5-hydroxytryptamine receptor 1A	1
7909336	10.1021/jm00034a003	D(3) dopamine receptor	1
7473548	10.1021/jm00021a010	Adrenergic receptor alpha-1	1
7473548	10.1021/jm00021a010	5-hydroxytryptamine receptor 1A	1
7473548	10.1021/jm00021a010	D(2) dopamine receptor	1
9622541	10.1021/jm970164z	Adrenergic receptor alpha-1	1
7473547	10.1021/jm00021a009	5-hydroxytryptamine receptor 1A	1
7473547	10.1021/jm00021a009	D(2) dopamine receptor	1
-	10.1016/S0960-894X(97)00336-3	Canis familiaris	1
-	10.1016/S0960-894X(97)00336-3	Adrenergic receptor alpha-1	1
-	10.1016/S0960-894X(97)00336-3	5-hydroxytryptamine receptor 1A	1

Data from ChEMBL 36 via Core Engine