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Ligand

NameDihydroergokryptine
Molecular formulaC32H43N5O5
IUPAC nameN-[2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight577.726
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.1
SynonymsDihydroergocryptine
N~9~-(10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
L001212
STK665862
AKOS005536108
[ Show all ]
Inchi KeyPBUNVLRHZGSROC-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)
PubChem CID522609
ChEMBLN/A
IUPHAR282
BindingDB81453
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5545495-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
5545475-hydroxytryptamine receptor 7P32304Htr7Mus musculus (Mouse)448
5545485-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
556458Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466

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