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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	Tolvaptan
Molecular formula	C26H25ClN2O3
IUPAC name	N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Molecular weight	448.947
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.8
Synonyms	7-chloro-5-hydroxy-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine AM20090726 Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl- CT0200 GTPL2226 L001628 N-[4-(9-chloro-6-hydroxy-2-azabicyclo[5.4.0]undeca-8,10,12-triene-2-carbonyl)-3-methyl-phenyl]-2-methyl-benzamide Samsca TC-148610 5-hydroxy-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1h-benzazepine AB2000685 API0024498 CAS-150683-30-0 DSSTox_CID_28706 HMS3656K20 N-(4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide OPC 41061 SCHEMBL242421 (+-)-4'-((7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl) carbonyl)-o-tolu-m-toluidide Tolvaptan [USAN:INN:BAN] 7-chloro-5-hydroxy-1-[2-methyl-4-(2-methyl benzoyl amino) benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine AK-33401 BDBM35723 CHEMBL344159 DTXSID3048780 KB-61802 N-[4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-3-methyl-phenyl]-2-methyl-benzamide PDSP2_001721 ST24031322 AB0009995 AN-5238 benzazepine derivative, 32 CTK8B8272 GYHCTFXIZSNGJT-UHFFFAOYSA-N MolPort-008-155-996 N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide Samsca (TN) 683T300 AC-22748 AX8158397 CHEBI:32246 DSSTox_GSID_48780 HSDB 8196 N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methyl-phenyl]-2-methyl-benzamide OPC-41061 SR-01000942265 (+-)-4'-((7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-o-tolu-m-toluidide Tolvaptan, >=98% (HPLC), powder 7-chloro-5-hydroxy-1-[2-methyl-4-(2-methylbenzoylamino) benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine AKOS015994735 Benzamide, N-(4-((7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-3-methylphenyl)-2-methyl- CS-0572 FT-0645839 KS-1315 N-[4-(7-chloro-5-hydroxy2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide s2593 SW219182-1 150683-30-0 4CA-1265 AB01565822_02 ANW-59865 C26H25ClN2O3 D03KZM HMS3604L08 N-(4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]-azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide NCGC00183001-01 Samsca;OPC-41061 Tolvaptan (OPC-41061) Tox21_113256 7-Chloro-5-hydroxy-1-(2-methyl-4-(2-methylbenzoylamino)benzoyl)2,3,4,5-tetrahydro-1H-1-benzazepine AC1L50C9 BC650606 DSSTox_RID_82975 HY-17000 N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide PDSP1_001738 SR-01000942265-1 (-)-4'-((7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-o-tolu-m-toluidide [ Show all ]
Inchi Key	GYHCTFXIZSNGJT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
PubChem CID	216237
ChEMBL	CHEMBL344159
IUPHAR	2226
BindingDB	35723
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
108275	Corticotropin-releasing factor receptor 1	P35353	Crhr1	Rattus norvegicus (Rat)	415
108276	Corticotropin-releasing factor receptor 1	P35347	Crhr1	Mus musculus (Mouse)	415
555889	Corticotropin-releasing factor receptor 1	P34998	CRHR1	Homo sapiens (Human)	444
108274	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
553789	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
108279	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
108277	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371
108278	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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