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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.
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Ligand

Name	Apafant
Molecular formula	C22H22ClN5O2S
IUPAC name	3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
Molecular weight	455.961
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.1
Synonyms	Tox21_113594 1-Propanone, 3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-;1-Propanone, 3-[4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)- WEB2086 3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-1-morpholin-4-yl-propan-1-one(WEB 2086) Apafant [USAN:INN] BRN 4302553 D01652 DTXSID5048974 LS-92643 Oprea1_587188 UNII-J613NI05SV ZINC608180 4-(3-(4-(o-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)-s-triazolo(4,3-a)(1,4)diazepin-2-yl)propionyl)morpholine AKOS024457059 Apafantum CAS-105219-56-5 D0X7ZW GTPL1860 NCGC00092377-01 RT-016257 SR-01000945084-1 (E)-3-(4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl)-1-morpholinopropan-1-one WEB 2086BS 3-(4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl)-1-morpholinopropan-1-one 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl]-1-oxopropyl]morpholine Apafant (JAN/USAN/INN) BDBM50000714 CHEMBL280164 DSSTox_GSID_48974 J613NI05SV NCGC00092377-04 Tox21_113594_1 105219-56-5 WEB2086, >=98% (HPLC) 3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-1-morpholin-4-yl-propan-1-one(WEB2086) AC1L246K Apafanto C-33070 D07DKC FT-0662248 MolPort-003-844-652 PDSP1_000669 Web 2086 219W565 [3H]apafant 4-[3-[4-(2-CHLOROPHENYL)-9-METHYL-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]DIAZEPIN-2-YL]-1-OXOPROPYL]-MORPHOLINE AN-34008 Apafantum [INN-Latin] CHEBI:92490 DE-081 HMS3268N16 NCGC00092377-02 SCHEMBL94167 Tox21_113429 WEB-2086 3-[4-(2-Chloro-phenyl)-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulen-2-yl]-1-morpholin-4-yl-propan-1-one 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl]-1-oxopropyl]]morpholine Apafant (ophthalmic formulation), Santen BRD-K28115081-001-01-9 CTK8F0015 DSSTox_RID_83168 L001111 NCGC00183135-01 triazolodiazepine ZB014596 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one AC1Q3P7E Apafanto [INN-Spanish] C22H22ClN5O2S D0CB8W GTPL1859 Morpholine, 4-((4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)- PDSP2_000659 SR-01000945084 WEB 2086 BS 3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-yl)-1-(4-morpholinyl)-1-propanone [3H]WEB 2086 4-[3-[4-(2-chlorophenyl)-9-methyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-oxopropyl]morpholine B7024 DSSTox_CID_28900 J-001361 NCGC00092377-03 [ Show all ]
Inchi Key	JGPJQFOROWSRRS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
PubChem CID	65889
ChEMBL	CHEMBL280164
IUPHAR	1860, 1859
BindingDB	50000714
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
150495	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341
150496	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
150497	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341
150498	Platelet-activating factor receptor	P25105	PTAFR	Homo sapiens (Human)	342

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