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Ligand

NameCHEMBL386036
Molecular formulaC28H36N4O6
IUPAC name(6R,9R,12S,16E)-12-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione
Molecular weight524.618
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.8
SynonymsBDBM50199376
(9R,12R,15S)-9-(4-hydroxy-benzyl)-15-hydroxymethyl-12-isopropyl-6,7,8,9,11,12,14,15,17,18-decahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione
Inchi KeyCQYJJDQNOOMWMR-NQWXHHCGSA-N
Inchi IDInChI=1S/C28H36N4O6/c1-18(2)25-28(37)31-23(17-33)26(35)30-13-5-7-20-6-3-4-8-24(20)38-15-14-29-22(27(36)32-25)16-19-9-11-21(34)12-10-19/h3-12,18,22-23,25,29,33-34H,13-17H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)/b7-5+/t22-,23+,25-/m1/s1
PubChem CID11995156
ChEMBLCHEMBL386036
IUPHARN/A
BindingDB50199376
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
48585Motilin receptorO43193MLNRHomo sapiens (Human)412

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