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Ligand

NameCHEMBL215963
Molecular formulaC31H44N4O4
IUPAC name(6S,9R,12R)-12-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-6-propyl-4,7,10,13-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-5,8,11-trione
Molecular weight536.717
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.8
SynonymsBDBM50199357
(9S,12R,15R)-15-(4-hydroxy-benzyl)-12-isopropyl-9-propyl-6,7,9,10,12,13,15,16,17,18,19,20-dodecahydro-5H-7,10,13,16-tetraaza-benzocyclooctadecene-8,11,14-trione
Inchi KeyITWAGJLCOSNGAP-UPRLRBBYSA-N
Inchi IDInChI=1S/C31H44N4O4/c1-4-9-26-29(37)33-19-17-24-11-6-5-10-23(24)12-7-8-18-32-27(20-22-13-15-25(36)16-14-22)30(38)35-28(21(2)3)31(39)34-26/h5-6,10-11,13-16,21,26-28,32,36H,4,7-9,12,17-20H2,1-3H3,(H,33,37)(H,34,39)(H,35,38)/t26-,27+,28+/m0/s1
PubChem CID11994802
ChEMBLCHEMBL215963
IUPHARN/A
BindingDB50199357
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
141661Motilin receptorO43193MLNRHomo sapiens (Human)412

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