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Ligand

NameCHEMBL274876
Molecular formulaC29H38F3N5O4
IUPAC name(6R,9R,12S)-12-(aminomethyl)-9-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
Molecular weight577.649
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP3.8
SynonymsBDBM50214272
SCHEMBL10150187
(5R,8R,11S)-11-(aminomethyl)-8-(propan-2-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
Inchi KeyDVDWIPVKYMAQFW-GIFXNVAJSA-N
Inchi IDInChI=1S/C29H38F3N5O4/c1-18(2)25-28(40)36-23(17-33)26(38)35-12-6-9-20-8-3-4-11-24(20)41-14-13-34-22(27(39)37-25)16-19-7-5-10-21(15-19)29(30,31)32/h3-5,7-8,10-11,15,18,22-23,25,34H,6,9,12-14,16-17,33H2,1-2H3,(H,35,38)(H,36,40)(H,37,39)/t22-,23+,25-/m1/s1
PubChem CID44432973
ChEMBLCHEMBL274876
IUPHARN/A
BindingDB50214272
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
69833Motilin receptorO43193MLNRHomo sapiens (Human)412

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