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Ligand

NameCHEMBL385087
Molecular formulaC34H44N4O4
IUPAC name(6R,9R,12S)-6-(naphthalen-1-ylmethyl)-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
Molecular weight572.75
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.8
SynonymsBDBM50199372
SCHEMBL73779
(9R,12R,15S)-12-isopropyl-9-naphthalen-1-ylmethyl-15-propyl-6,7,8,9,11,12,14,15,17,18,19,20-dodecahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione
Inchi KeyDXNKOOLINCJBEM-ILJQZKEFSA-N
Inchi IDInChI=1S/C34H44N4O4/c1-4-11-28-32(39)36-19-10-16-25-13-6-8-18-30(25)42-21-20-35-29(33(40)38-31(23(2)3)34(41)37-28)22-26-15-9-14-24-12-5-7-17-27(24)26/h5-9,12-15,17-18,23,28-29,31,35H,4,10-11,16,19-22H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/t28-,29+,31+/m0/s1
PubChem CID11433096
ChEMBLCHEMBL385087
IUPHARN/A
BindingDB50199372
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
71437Motilin receptorO43193MLNRHomo sapiens (Human)412

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