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Ligand

NameCHEMBL234810
Molecular formulaC30H41ClN6O4
IUPAC name3-[(6R,9R,12S)-6-[(3-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]propanimidamide
Molecular weight585.146
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP3.2
SynonymsBDBM50214276
SCHEMBL13392349
3-[(5R,8R,11S)-5-[(3-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]propanimidamide
Inchi KeyGJZLNEWHDCNOLF-CLCZQPDDSA-N
Inchi IDInChI=1S/C30H41ClN6O4/c1-19(2)27-30(40)36-23(12-13-26(32)33)28(38)35-14-6-9-21-8-3-4-11-25(21)41-16-15-34-24(29(39)37-27)18-20-7-5-10-22(31)17-20/h3-5,7-8,10-11,17,19,23-24,27,34H,6,9,12-16,18H2,1-2H3,(H3,32,33)(H,35,38)(H,36,40)(H,37,39)/t23-,24+,27+/m0/s1
PubChem CID25115200
ChEMBLCHEMBL234810
IUPHARN/A
BindingDB50214276
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
98408Motilin receptorO43193MLNRHomo sapiens (Human)412

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