Compound Detail

CHEMBL567303

PALOSURAN

🧪 Phase II

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🧪 Phase II

Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL567303
Name	PALOSURAN
Phase	Phase II
Structure Type	MOL
InChI Key	WYJCYXOCHXWTHG-UHFFFAOYSA-N

Known Names

Act-058362 Palosuran

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Mechanisms

Molecular Properties

418.5

MW (Da)

3.73

ALogP

HBA

HBD

77.5

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem

-osuran

Extended Properties

Molecular Formula	C25H30N4O2
MW	418.54
Aromatic Rings	3
Heavy Atoms	31
NP-Likeness	-1.20

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Urotensin II receptor antagonist	ANTAGONIST	Urotensin-2 receptor	✓	✓

Activity Summary

Ki 9 meas. best 7.39

IC50 2 meas. best 7.41

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Urotensin-2 receptor CHEMBL3764	IC50	7.41	6.955	39.0	2
Urotensin-2 receptor CHEMBL3764	Ki	7.39	7.39	41.0	1
5-hydroxytryptamine receptor 2C CHEMBL225	Ki	6.86	6.86	138.8	1
D(2) dopamine receptor CHEMBL217	Ki	6.22	6.22	595.5	1
Sigma intracellular receptor 2 CHEMBL4105907	Ki	6.02	6.02	955.9	1
Sodium-dependent serotonin transporter CHEMBL228	Ki	6.0	6.0	995.3	1
Alpha-2A adrenergic receptor CHEMBL1867	Ki	5.99	5.99	1018.4	1
Sodium-dependent noradrenaline transporter CHEMBL222	Ki	5.96	5.96	1087.4	1
5-hydroxytryptamine receptor 2A CHEMBL224	Ki	5.8	5.8	1588.5	1
Sigma non-opioid intracellular receptor 1 CHEMBL287	Ki	5.77	5.77	1703.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Urotensin-2 receptor	IC50	=	39.0	nM	7.41	Antagonist activity at recombinant human urotensin2 receptor expressed in CHO ce...	23453841
Urotensin-2 receptor	Ki	=	41.0	nM	7.39	Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells...	19731961
5-hydroxytryptamine receptor 2C	Ki	=	138.8	nM	6.86	PDSP Secondary Binding target: HTR2C - Compounds are tested at 10 uM concentrati...	-
Urotensin-2 receptor	IC50	=	320.0	nM	6.5	Antagonist activity at urotensin 2 receptor in human RMS13 cells assessed as inh...	19731961
D(2) dopamine receptor	Ki	=	595.52	nM	6.22	PDSP Secondary Binding target: DRD2 - Compounds are tested at 10 uM concentratio...	-
Sigma intracellular receptor 2	Ki	=	955.87	nM	6.02	PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentrat...	-
Sodium-dependent serotonin transporter	Ki	=	995.29	nM	6.0	PDSP Secondary Binding target: SLC6A4 - Compounds are tested at 10 uM concentrat...	-
Alpha-2A adrenergic receptor	Ki	=	1018.35	nM	5.99	PDSP Secondary Binding target: ADRA2A - Compounds are tested at 10 uM concentrat...	-
Sodium-dependent noradrenaline transporter	Ki	=	1087.42	nM	5.96	PDSP Secondary Binding target: SLC6A2 - Compounds are tested at 10 uM concentrat...	-
5-hydroxytryptamine receptor 2A	Ki	=	1588.55	nM	5.8	PDSP Secondary Binding target: HTR2A - Compounds are tested at 10 uM concentrati...	-
Sigma non-opioid intracellular receptor 1	Ki	=	1702.95	nM	5.77	PDSP Secondary Binding target: SIGMAR1 - Compounds are tested at 10 uM concentra...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5724801	Fibroblast	304
-	10.6019/CHEMBL5724801	HEK-293T	304
-	10.6019/CHEMBL5724801	U2OS	304
-	10.6019/CHEMBL5058577	HEK-293T	304
-	10.6019/CHEMBL5058577	U2OS	304
-	10.6019/CHEMBL5058577	Fibroblast	304
-	10.6019/CHEMBL5058564	U2OS	8
-	10.6019/CHEMBL5058564	Fibroblast	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL5058564	HEK-293T	4
19731961	10.1021/jm900683d	Urotensin-2 receptor	3
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	2
-	10.6019/CHEMBL5209801	Apelin receptor	2
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	2
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	2
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	2
-	10.6019/CHEMBL5209801	G-protein coupled receptor 35	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2

Data from ChEMBL 36 via Core Engine