Compound Detail

CHEMBL1834352

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CCN/C(=N\S(=O)(=O)c1ccccc1)N1CC(C)(C)C=N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1834352
Phase	Preclinical
Structure Type	MOL
InChI Key	PIVYIINKJGNZJN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

308.4

MW (Da)

1.67

ALogP

HBA

HBD

74.1

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Kd 2 meas. best 7.2

Ki 2 meas. best 6.83

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
5-hydroxytryptamine receptor 6 CHEMBL3371	Kd	7.2	7.2	63.1	2
5-hydroxytryptamine receptor 6 CHEMBL3371	Ki	6.83	6.83	146.6	2

Parameter	Value	Units	Species
CL	1.0	uL.min-1.(10^6cells)-1	Homo sapiens
CL	41.0	uL.min-1.(10^6cells)-1	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
5-hydroxytryptamine receptor 6	Kd	=	63.1	nM	7.2	Antagonist activity at human recombinant 5-HT6 receptor expressed in CHO aequosc...	21866910
5-hydroxytryptamine receptor 6	Kd	=	63.1	nM	7.2	Antagonist activity at human recombinant 5-HT6 receptor expressed in CHO cells a...	26876931
5-hydroxytryptamine receptor 6	Ki	=	146.6	nM	6.83	Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor ...	21866910
5-hydroxytryptamine receptor 6	Ki	=	146.6	nM	6.83	Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 recept...	26876931

PubMed	DOI	Target Context	# Activities
21866910	10.1021/jm200466r	Hepatocyte	2
21866910	10.1021/jm200466r	5-hydroxytryptamine receptor 6	2
26876931	10.1016/j.bmcl.2016.02.001	LLC-PK1	2
26876931	10.1016/j.bmcl.2016.02.001	5-hydroxytryptamine receptor 6	2
26876931	10.1016/j.bmcl.2016.02.001	Hepatocyte	2

Data from ChEMBL 36 via Core Engine