NALUZOTAN

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Search structure


Synonyms	Naluzotan PRX-00023
Status
Molecule Category	UNKNOWN
UNII	LQ54E5B4EW


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	SPWZXWDPAWDKQE-UHFFFAOYSA-N
Smiles	CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1
InChI	InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H38N4O3S
Molecular Weight	450.65
AlogP	3.05
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	81.75
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	31.0

Bioactivity

Mechanism of Action	Action	Reference
Serotonin 1a (5-HT1a) receptor agonist	AGONIST	PubMed Wikipedia


Protein: Serotonin 1a (5-HT1a) receptor Description: 5-hydroxytryptamine receptor 1A Organism : Homo sapiens P08908 ENSG00000178394

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	3800-3800	-	-	21
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	-	-	1600	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	20-93	-	-	17-30	-
Membrane receptor	20-93	-	-	17-30	-

Assay Description	Organism	Bioactivity	Reference
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells	Homo sapiens	5.1 nM
Activity against 5HT1A receptor by Gi-[35S]GTP-gamma-S binding assay	Homo sapiens	20.0 nM
Binding affinity to 5HT7 receptor by radioligand binding assay	Homo sapiens	700.0 nM
Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay at 1 uM	Homo sapiens	21.0 %
Binding affinity to 5HT1A receptor in rat cerebral cortex by radioligand binding assay	Rattus norvegicus	17.0 nM
Binding affinity to guinea pig sigma receptor by radioligand binding assay	Cavia porcellus	100.0 nM
Binding affinity to 5HT1A receptor in rat cortex membrane	Rattus norvegicus	30.2 nM
Agonist activity at human 5HT1A receptor expressed in C6 cells assessed as stimulation of [35S]GTPgammaS binding	Homo sapiens	93.33 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL209821
DrugBank	DB05562
FDA SRS	LQ54E5B4EW
PubChem	11430856
SureChEMBL	SCHEMBL678016
ZINC	ZINC000003963096

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).