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Ligand

NameCHEMBL437156
Molecular formulaC30H42N4O4
IUPAC name(6S,9R,12R)-12-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-6-propyl-4,7,10,13-tetrazabicyclo[15.4.0]henicosa-1(21),17,19-triene-5,8,11-trione
Molecular weight522.69
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP4.5
SynonymsBDBM50199354
(9S,12R,15R)-15-(4-hydroxy-benzyl)-12-isopropyl-9-propyl-5,6,7,9,10,12,13,15,16,17,18,19-dodecahydro-7,10,13,16-tetraaza-benzocycloheptadecene-8,11,14-trione
Inchi KeyAEGFCTCJEIVEAM-OYUWMTPXSA-N
Inchi IDInChI=1S/C30H42N4O4/c1-4-8-25-28(36)32-18-16-23-10-6-5-9-22(23)11-7-17-31-26(19-21-12-14-24(35)15-13-21)29(37)34-27(20(2)3)30(38)33-25/h5-6,9-10,12-15,20,25-27,31,35H,4,7-8,11,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/t25-,26+,27+/m0/s1
PubChem CID11994799
ChEMBLCHEMBL437156
IUPHARN/A
BindingDB50199354
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
3430Motilin receptorO43193MLNRHomo sapiens (Human)412

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