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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Setoperone
Molecular formula	C21H24FN3O2S
IUPAC name	6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Molecular weight	401.5
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.8
Synonyms	AC1Q4NI0 CHEMBL2105437 FT-0738877 R 52,245 Setoperone (USAN/INN) 6-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-7-methyl-5H-thiazolo(3,2-a)pyrimidin-5-one 6-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one BQ67CS3Q3E DSSTox_CID_31637 NCGC00262950-01 SCHEMBL122185 Setoperonum 18F-fluorosetoperone 86487-64-1 CAS-86487-64-1 DTXSID9057848 PDSP2_001208 Setoperona [Spanish] UNII-BQ67CS3Q3E 5H-Thiazolo[3,2a]pyrimidin-5-one, 6-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-7-methyl- AKOS030530828 CTK5F6859 L000809 R-52245 SETOPERONE > 95 % 6-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-7-methyl-5H-thiazolo(3,2-alpha)pyrimidin-5-one 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one C-33108 DSSTox_GSID_57848 PDSP1_001224 SEPTOPERONE Setoperonum [Latin] 5H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-7-methyl- AC1L2A34 CAS_86487-64-1 fluorine-18-setoperone PDSP2_001646 ZINC538339 6-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one BDBM81814 D02686 LS-177935 RBGAHDDQSRBDOG-UHFFFAOYSA-N Setoperone [USAN:INN] 6-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-7-methyl-5h-thiazolo[3,2-a]pyrimidin-5-one C21H24FN3O2S DSSTox_RID_97521 PDSP1_001662 Setoperona Tox21_113942 5H-Thiazolo[3,2-a]pyrimidin-5-one,6-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-7-methyl- [ Show all ]
Inchi Key	RBGAHDDQSRBDOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
PubChem CID	68604
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81814
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
292026	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
292025	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
292024	Alpha-2B adrenergic receptor	P19328	Adra2b	Rattus norvegicus (Rat)	453
292023	Alpha-2C adrenergic receptor	P22086	Adra2c	Rattus norvegicus (Rat)	458
556615	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446

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