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GPCR

Name	Vasopressin V1b receptor
Species	Homo sapiens (Human)
Gene	AVPR1B
Synonym	AVPR3 Vasopressin V3 receptor vasopressin V1b receptor V3/V1b pituitary vasopressin receptor V3 V1bR V1B receptor Antidiuretic hormone receptor 1b AVPR V1b AVPR V3 VPR3 [ Show all ]
Disease	Anxiety disorder Major depressive disorder; Anxiety Major depressive disorder
Length	424
Amino acid sequence	MDSGPLWDANPTPRGTLSAPNATTPWLGRDEELAKVEIGVLATVLVLATGGNLAVLLTLGQLGRKRSRMHLFVLHLALTDLAVALFQVLPQLLWDITYRFQGPDLLCRAVKYLQVLSMFASTYMLLAMTLDRYLAVCHPLRSLQQPGQSTYLLIAAPWLLAAIFSLPQVFIFSLREVIQGSGVLDCWADFGFPWGPRAYLTWTTLAIFVLPVTMLTACYSLICHEICKNLKVKTQAWRVGGGGWRTWDRPSPSTLAATTRGLPSRVSSINTISRAKIRTVKMTFVIVLAYIACWAPFFSVQMWSVWDKNAPDEDSTNVAFTISMLLGNLNSCCNPWIYMGFNSHLLPRPLRHLACCGGPQPRMRRRLSDGSLSSRHTTLLTRSSCPATLSLSLSLTLSGRPRPEESPRDLELADGEGTAETIIF
UniProt	P47901
Protein Data Bank	N/A
GPCR-HGmod model	P47901
3D structure model	This predicted structure model is from GPCR-EXP P47901.
BioLiP	N/A
Therapeutic Target Database	T59881
ChEMBL	CHEMBL1921
IUPHAR	367
DrugBank	BE0000773

Ligand

Name	pentoxifylline
Molecular formula	C13H18N4O3
IUPAC name	3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Molecular weight	278.312
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	0.3
Synonyms	NCGC00067069-05 3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione V0152 Hemovas NSC637086 3arr HMS3262L14 Pentopak AB00052363_18 Ikomio Pentoxifylline [USAN:USP:INN:BAN:JAN] API0003788 KBioGR_000893 Pentoxiphylline BG0286 MLS000079026 Pharmakon1600-01503611 BRN 0558929 NCGC00015801-03 Ralofect CCG-36382 NCGC00015801-12 SPBio_001221 CTK8G2308 SR-01000075641 DSSTox_GSID_23437 2a3c Theobromine, 1-(5-oxohexyl)- EHT0201 Tox21_110223_1 Flexital (TN) NCGC00261621-01 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione VZ33607 HMS2051N06 Oxpentifylline 5-26-14-00081 (Beilstein Handbook Reference) HMS3712H13 Pentoxifilina [INN-Spanish] AC1L1IUN KBio1_000729 Pentoxifyllinum [INN-Latin] Azupentat Lopac0_000936 Pentoxyfylline BL-191 MLS001424051 Prestwick1_000196 BYPFEZZEUUWMEJ-UHFFFAOYSA-N NCGC00015801-06 SBI-0050910.P003 NCGC00067069-03 Spectrum2_001181 1-(5-Oxohexyl)-3,7-dimethylxanthine SR-01000075641-7 Durapental 3,7-Dimethyl-1-(5-oxohexyl) xantine 3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione Trental (TN) GTPL7095 NSC-637086 3,7-Dimethyl-1-(5-oxohexyl)xanthine HMS2095H13 PDSP1_001015 AB00052363 I06-1592 Pentoxifylline (JAN/USP/INN) AKOS000541484 KBio2_007060 Pentoxin (TN) BCP29306 MCULE-9951939936 Pentoxyphyllin BRD-K57569181-001-05-1 NCGC00015801-01 Prestwick_608 CAS-1677687 NCGC00015801-09 SD6QCT3TSU CPD000035998 Spectrum5_001161 DivK1c_000729 STK177321 EHT-0201 NCGC00178062-01 3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione Vasofirin HMS1568H13 NSC758481 3aru HMS3370D09 Pentox (TN) AB00052363_21 IN1161 Pentoxifylline,(S) Artal (TN) KBioSS_001924 Pentoxiphyllium BIDD:GT0174 MLS000758298 PNX BSPBio_000151 NCGC00015801-04 Rentylin CCRIS 6832 NCGC00015801-17 SPBio_002072 D00501 SR-01000075641-1 DSSTox_RID_77028 3,7-Dihydro-3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione Torental EINECS 229-374-5 Tox21_500936 FT-0603570 NINDS_000729 3,7-dimethyl-1-(5-oxohexyl)-xanthine ZINC1530776 HMS2090H13 P 1784 6493-05-6 HMS502E11 Pentoxifyllin Agapurin KBio2_001924 Pentoxil BAS 00897429 LP00936 Pentoxyifylline BL191 MolPort-001-823-263 Prestwick2_000196 C07424 NCGC00015801-07 SC-23298 CHEMBL628 Spectrum3_001820 DB00806 1-(5-Oxohexyl)theobromine SR-01000075641-9 EHT 0201 3,7-dimethyl-1-(5-oxohexyl)-1,3,7-trihydropurine-2,6-dione NCGC00067069-04 3,7-dimethyl-1-(5-oxohexyl)-1H-purine-2,6-dione UNII-SD6QCT3TSU H3041 NSC-758481 3,7-Dimethyl-1-(5-oxohexyl)xantine HMS2235C16 PDSP2_000999 AB00052363-17 IDI1_000729 Pentoxifylline [USAN:INN:JAN] AN-8052 KBio3_002942 Pentoxiphyllin BDBM10850 MFCD00063379 Pentoxyphylline BRD-K57569181-001-16-8 NCGC00015801-02 Px CAS-6493-05-6 NCGC00015801-10 SMR000035998 CS-2954 Spectrum_001444 DSSTox_CID_3437 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(5-oxohexyl)- SW196777-4 EHT-201 EU-0100936 NCGC00178062-02 3,7-Dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione # Vazofirin HMS1922E16 Opera_ID_1800 3tvx HMS3393N06 Pentoxifilina AC-8381 J10071 Pentoxifyllinum AS-13662 Lopac-P-1784 Pentoxyfilline BL 191 MLS001201764 Prestwick0_000196 BSPBio_003439 NCGC00015801-05 SAM001247011 CHEBI:7986 NCGC00067069-02 SPECTRUM1503611 D09QEI 1,2,3,6-Tetrahydro-3,7-dimethyl-1-(5-oxohexyl)-2,6-purindion SR-01000075641-4 DTXSID7023437 3,7-Dimethyl-1-(5-oxo-hexyl)-3,7-dihydro-purine-2,6-dione Tox21_110223 Trental FT-0657886 NSC 637086 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione HMS2093G21 P2050 HY-B0715 Agapurin Retard KBio2_004492 Pentoxil (TN) BBL016497 LS-149385 PENTOXYPHYLINE BPBio1_000167 NC00255 Prestwick3_000196 C13H18N4O3 NCGC00015801-08 SCHEMBL34039 cis-9-Octadecenoyl coenzyme A Spectrum4_000227 Dimethyloxohexylxanthine 1-(5-oxohexyl)theobromine (pentoxifylline) ST50242554 EHT 0202 3,7-Dimethyl-1-(5-oxohexyl)-1H,3H-purin-2,6-dione [ Show all ]
Inchi Key	BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
PubChem CID	4740
ChEMBL	CHEMBL628
IUPHAR	7095
BindingDB	10850
DrugBank	DB00806
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	38876.9 nM	PubChem BioAssay data set	ChEMBL

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