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Ligand

NameCHEMBL391045
Molecular formulaC28H38ClN5O4
IUPAC name(6R,9R,12S)-12-(aminomethyl)-6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
Molecular weight544.093
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP3.5
SynonymsBDBM50214275
SCHEMBL73721
(5R,8R,11S)-11-(aminomethyl)-5-[(4-chlorophenyl)methyl]-8-(propan-2-yl)-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 KeyGIGOFXNPNLWMME-GIFXNVAJSA-N
Inchi IDInChI=1S/C28H38ClN5O4/c1-18(2)25-28(37)33-23(17-30)26(35)32-13-5-7-20-6-3-4-8-24(20)38-15-14-31-22(27(36)34-25)16-19-9-11-21(29)12-10-19/h3-4,6,8-12,18,22-23,25,31H,5,7,13-17,30H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t22-,23+,25-/m1/s1
PubChem CID11168753
ChEMBLCHEMBL391045
IUPHARN/A
BindingDB50214275
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
97145Motilin receptorO43193MLNRHomo sapiens (Human)412

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