QUETIAPINE


Synonyms	Atrolak xl Biquelle xl Brancico xl Ebesque xl Mintreleq xl NSC-758918 Norsic Psyquet xl Quetiapine Quetiapine extended release Seotiapim xl Seroquel Seroquel xl Sondate xl Tenprolide xl
Status
Molecule Category	Free-form
ATC	N05AH04
UNII	BGL0JSY5SI
EPA CompTox	DTXSID9023546


InChI Key	URKOMYMAXPYINW-UHFFFAOYSA-N
Smiles	OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
InChI	InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2

Property Name	Value
Molecular Formula	C21H25N3O2S
Molecular Weight	383.52
AlogP	2.86
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	48.3
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	27.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor	-	-	-	56-398.11	88
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor	-	-	-	4.5-100	23-75
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	330	-	63.1-650	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor	-	40	-	8.7-39.81	76
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	-	-	-	31-830	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family	-	-	-	680	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	39.81	-
Homo sapiens	-	-	-	7-398.11	23-88
Rattus norvegicus	-	40	-	12.59-680	75

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Countries
Croatia
Hungary
Romania
Slovenia

Resources	Reference
ChEBI	8707
ChEMBL	CHEMBL716
DrugBank	DB01224
DrugCentral	2337
FDA SRS	BGL0JSY5SI
Human Metabolome Database	HMDB0005021
Guide to Pharmacology	50
KEGG	C07397
PharmGKB	PA451201
PubChem	5002
SureChEMBL	SCHEMBL7932
ZINC	ZINC000019632628

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

QUETIAPINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Environmental Exposure

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