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Ligand

NameCHEMBL214702
Molecular formulaC30H40N4O5
IUPAC name(6S,9R,12S,16E)-6-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione
Molecular weight536.673
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP4.1
SynonymsBDBM50199381
(9S,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl-15-propyl-6,7,8,9,11,12,14,15,17,18-decahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione
Inchi KeyCXNVASKCTNQIAR-IPUUMNCNSA-N
Inchi IDInChI=1S/C30H40N4O5/c1-4-8-24-28(36)32-16-7-10-22-9-5-6-11-26(22)39-18-17-31-25(19-21-12-14-23(35)15-13-21)29(37)34-27(20(2)3)30(38)33-24/h5-7,9-15,20,24-25,27,31,35H,4,8,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,37)/b10-7+/t24-,25-,27+/m0/s1
PubChem CID11995044
ChEMBLCHEMBL214702
IUPHARN/A
BindingDB50199381
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
52965Motilin receptorO43193MLNRHomo sapiens (Human)412

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