TEDATIOXETINE


Synonyms	LU AA24530 LU-AA24530 Lu aa24530 Tedatioxetine
Status
Molecule Category	Free-form
UNII	5H681S8O3S

Structure


InChI Key	CVASBKDYSQKLSO-UHFFFAOYSA-N
Smiles	Cc1ccc(Sc2ccccc2C2CCNCC2)cc1
InChI	InChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H21NS
Molecular Weight	283.44
AlogP	4.61
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	12.03
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Pharmacology

Mechanism of Action	Action	Reference
Alpha-1a adrenergic receptor antagonist	ANTAGONIST	Other Wikipedia Other

Target Conservation


Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3E Organism : Homo sapiens A5X5Y0 ENSG00000186038





Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3B Organism : Homo sapiens O95264 ENSG00000149305










Protein: Norepinephrine transporter Description: Sodium-dependent noradrenaline transporter Organism : Homo sapiens P23975 ENSG00000103546











Protein: Serotonin 2a (5-HT2a) receptor Description: 5-hydroxytryptamine receptor 2A Organism : Homo sapiens P28223 ENSG00000102468













Protein: Serotonin 2c (5-HT2c) receptor Description: 5-hydroxytryptamine receptor 2C Organism : Homo sapiens P28335 ENSG00000147246












Protein: Serotonin transporter Description: Sodium-dependent serotonin transporter Organism : Homo sapiens P31645 ENSG00000108576











Protein: Alpha-1a adrenergic receptor Description: Alpha-1A adrenergic receptor Organism : Homo sapiens P35348 ENSG00000120907











Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3A Organism : Homo sapiens P46098 ENSG00000166736












Protein: Dopamine transporter Description: Sodium-dependent dopamine transporter Organism : Homo sapiens Q01959 ENSG00000142319









Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3D Organism : Homo sapiens Q70Z44 ENSG00000186090






Protein: Serotonin 3 (5-HT3) receptor Description: 5-hydroxytryptamine receptor 3C Organism : Homo sapiens Q8WXA8 ENSG00000178084

Cross References

Resources	Reference
ChEMBL	CHEMBL2104986
DrugBank	DB12641
FDA SRS	5H681S8O3S
PubChem	9878913
SureChEMBL	SCHEMBL547653
ZINC	ZINC000034003654

CONTENTS