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Ligand

NameCHEMBL384501
Molecular formulaC31H44N4O5
IUPAC name(6R,9R,12S)-6-[(4-methoxyphenyl)methyl]-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
Molecular weight552.716
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP4.5
SynonymsBDBM50199368
SCHEMBL73791
(9R,12R,15S)-12-isopropyl-9-(4-methoxy-benzyl)-15-propyl-6,7,8,9,11,12,14,15,17,18,19,20-dodecahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione
Inchi KeyBNIYEGMNETZYGX-ZRRKCSAHSA-N
Inchi IDInChI=1S/C31H44N4O5/c1-5-9-25-29(36)33-17-8-11-23-10-6-7-12-27(23)40-19-18-32-26(20-22-13-15-24(39-4)16-14-22)30(37)35-28(21(2)3)31(38)34-25/h6-7,10,12-16,21,25-26,28,32H,5,8-9,11,17-20H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/t25-,26+,28+/m0/s1
PubChem CID11341873
ChEMBLCHEMBL384501
IUPHARN/A
BindingDB50199368
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
28170Motilin receptorO43193MLNRHomo sapiens (Human)412

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