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GPCR

Name	Platelet-activating factor receptor
Species	Rattus norvegicus (Rat)
Gene	Ptafr
Synonym	AGEPC receptor PAF receptor PAF-R PAFr
Disease	N/A for non-human GPCRs
Length	341
Amino acid sequence	MEQNGSFRVDSEFRYTLFPIVYSVIFVLGVVANGYVLWVFATLYPSKKLNEIKIFMVNLTVADLLFLMTLPLWIVYYSNEGDWIVHKFLCNLAGCLFFINTYCSVAFLGVITYNRYQAVAYPIKTAQATTRKRGITLSLVIWISIAATASYFLATDSTNVVPKKDGSGNITRCFEHYEPYSVPILVVHIFITSCFFLVFFLIFYCNMVIIHTLLTRPVRQQRKPEVKRRALWMVCTVLAVFVICFVPHHVVQLPWTLAELGYQTNFHQAINDAHQITLCLLSTNCVLDPVIYCFLTKKFRKHLSEKFYSMRSSRKCSRATSDTCTEVMMPANQTPVLPLKN
UniProt	P46002
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4127
IUPHAR	N/A
DrugBank	N/A

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	J-001361 NCGC00092377-03 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 LS-92643 Oprea1_587188 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 GTPL1860 NCGC00092377-01 RT-016257 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 J613NI05SV NCGC00092377-04 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 FT-0662248 MolPort-003-844-652 PDSP1_000669 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 HMS3268N16 NCGC00092377-02 SCHEMBL94167 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 L001111 NCGC00183135-01 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 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 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 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
ID50	0.17 mg.kg-1	PMID1433215, PMID8411016	ChEMBL

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