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Ligand

NameCHEMBL396413
Molecular formulaC30H40F3N7O4
IUPAC name2-[[(6R,9R,12S)-7,10,13-trioxo-9-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]methyl]guanidine
Molecular weight619.69
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP2.6
SynonymsBDBM50214264
SCHEMBL13392340
1-{[(5R,8R,11S)-6,9,12-trioxo-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-benzoxatetrazacyclooctadecin-11-yl]methyl}guanidine
Inchi KeyFOPMEOGNSDLKOM-GIFXNVAJSA-N
Inchi IDInChI=1S/C30H40F3N7O4/c1-18(2)25-28(43)39-23(17-38-29(34)35)26(41)37-12-6-9-20-8-3-4-11-24(20)44-14-13-36-22(27(42)40-25)16-19-7-5-10-21(15-19)30(31,32)33/h3-5,7-8,10-11,15,18,22-23,25,36H,6,9,12-14,16-17H2,1-2H3,(H,37,41)(H,39,43)(H,40,42)(H4,34,35,38)/t22-,23+,25-/m1/s1
PubChem CID44432977
ChEMBLCHEMBL396413
IUPHARN/A
BindingDB50214264
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
83477Motilin receptorO43193MLNRHomo sapiens (Human)412

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