Compound Detail

CHEMBL1215661

PRUVANSERIN

🧪 Phase II

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🧪 Phase II

N#Cc1c[nH]c2c(C(=O)N3CCN(CCc4ccc(F)cc4)CC3)cccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1215661
Name	PRUVANSERIN
Phase	Phase II
Structure Type	MOL
InChI Key	AQRLDDAFYYAIJP-UHFFFAOYSA-N

Known Names

EMD 390920 EMD-281014 EMD-390920 EMD390920 LSN-2422347 LSN2422347 LY-2420586 LY-2422347 LY-2422347 FREE BASE LY2420586 Ly2422347 Pruvanserin +2 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

376.4

MW (Da)

3.18

ALogP

HBA

HBD

63.1

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-anserin
USAN Year	2005

Extended Properties

Molecular Formula	C22H21FN4O
MW	376.44
Aromatic Rings	3
Heavy Atoms	28
NP-Likeness	-1.45

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Serotonin 2a (5-HT2a) receptor antagonist	ANTAGONIST	5-hydroxytryptamine receptor 2A	✓	✓

Indications

Sleep Wake Disorders

Activity Summary

Ki 12 meas. best 9.32

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
5-hydroxytryptamine receptor 2A CHEMBL224	Ki	9.32	8.95	0.5	2
Sigma non-opioid intracellular receptor 1 CHEMBL287	Ki	6.75	6.75	178.4	1
D(4) dopamine receptor CHEMBL219	Ki	6.74	6.74	181.2	1
5-hydroxytryptamine receptor 1D CHEMBL1983	Ki	6.23	6.23	588.3	1
5-hydroxytryptamine receptor 2C CHEMBL225	Ki	6.19	6.01	645.0	2
5-hydroxytryptamine receptor 2B CHEMBL1833	Ki	5.98	5.98	1039.9	1
Sodium-dependent serotonin transporter CHEMBL228	Ki	5.96	5.96	1100.3	1
Sigma intracellular receptor 2 CHEMBL4105907	Ki	5.93	5.93	1185.0	1
5-hydroxytryptamine receptor 7 CHEMBL3155	Ki	5.62	5.62	2387.8	1
Sodium-dependent noradrenaline transporter CHEMBL222	Ki	5.6	5.6	2518.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
5-hydroxytryptamine receptor 2A	Ki	=	0.48	nM	9.32	Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK...	20684606
5-hydroxytryptamine receptor 2A	Ki	=	2.638	nM	8.58	PDSP Secondary Binding target: HTR2A - Compounds are tested at 10 uM concentrati...	-
Sigma non-opioid intracellular receptor 1	Ki	=	178.38	nM	6.75	PDSP Secondary Binding target: SIGMAR1 - Compounds are tested at 10 uM concentra...	-
D(4) dopamine receptor	Ki	=	181.18	nM	6.74	PDSP Secondary Binding target: DRD4 - Compounds are tested at 10 uM concentratio...	-
5-hydroxytryptamine receptor 1D	Ki	=	588.3	nM	6.23	PDSP Secondary Binding target: HTR1D - Compounds are tested at 10 uM concentrati...	-
5-hydroxytryptamine receptor 2C	Ki	=	645.0	nM	6.19	Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK...	20684606
5-hydroxytryptamine receptor 2B	Ki	=	1039.92	nM	5.98	PDSP Secondary Binding target: HTR2B - Compounds are tested at 10 uM concentrati...	-
Sodium-dependent serotonin transporter	Ki	=	1100.27	nM	5.96	PDSP Secondary Binding target: SLC6A4 - Compounds are tested at 10 uM concentrat...	-
Sigma intracellular receptor 2	Ki	=	1184.95	nM	5.93	PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentrat...	-
5-hydroxytryptamine receptor 2C	Ki	=	1472.65	nM	5.83	PDSP Secondary Binding target: HTR2C - Compounds are tested at 10 uM concentrati...	-
5-hydroxytryptamine receptor 7	Ki	=	2387.81	nM	5.62	PDSP Secondary Binding target: HTR7 - Compounds are tested at 10 uM concentratio...	-
Sodium-dependent noradrenaline transporter	Ki	=	2517.97	nM	5.6	PDSP Secondary Binding target: SLC6A2 - Compounds are tested at 10 uM concentrat...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5724696	U2OS	24
-	10.6019/CHEMBL5724696	TERT-RPE1	12
-	10.6019/CHEMBL4689842	HEK-293T	9
-	10.6019/CHEMBL4689842	Fibroblast	9
-	10.6019/CHEMBL4689842	U2OS	8
-	10.6019/CHEMBL5209801	N-formyl peptide receptor 2	2
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	2
-	10.6019/CHEMBL5209801	G-protein coupled receptor 35	2
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	2
-	10.6019/CHEMBL5209801	Beta-2 adrenergic receptor	2
-	10.6019/CHEMBL5209801	C5a anaphylatoxin chemotactic receptor 1	2
-	10.6019/CHEMBL5209801	Apelin receptor	2
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	2
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	2
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	2
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL5209801	CX3C chemokine receptor 1	2
-	10.6019/CHEMBL5209801	Glucagon-like peptide 1 receptor	2

Data from ChEMBL 36 via Core Engine