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Ligand

NameCHEMBL232154
Molecular formulaC29H40ClN7O4
IUPAC name2-[[(6R,9R,12S)-6-[(4-chlorophenyl)methyl]-7,10,13-trioxo-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]methyl]guanidine
Molecular weight586.134
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP2.4
SynonymsBDBM50214270
SCHEMBL74051
1-{[(5R,8R,11S)-5-[(4-chlorophenyl)methyl]-6,9,12-trioxo-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-benzoxatetrazacyclooctadecin-11-yl]methyl}guanidine
Inchi KeyABVYORDZFPNGAL-GIFXNVAJSA-N
Inchi IDInChI=1S/C29H40ClN7O4/c1-18(2)25-28(40)36-23(17-35-29(31)32)26(38)34-13-5-7-20-6-3-4-8-24(20)41-15-14-33-22(27(39)37-25)16-19-9-11-21(30)12-10-19/h3-4,6,8-12,18,22-23,25,33H,5,7,13-17H2,1-2H3,(H,34,38)(H,36,40)(H,37,39)(H4,31,32,35)/t22-,23+,25-/m1/s1
PubChem CID11204067
ChEMBLCHEMBL232154
IUPHARN/A
BindingDB50214270
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
1228Motilin receptorO43193MLNRHomo sapiens (Human)412

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