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Ligand

NameCHEMBL302329
Molecular formulaC36H45Cl4N5O5
IUPAC name3,5-dichloro-N-[(2Z,3S)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[3-(2-morpholin-4-yl-2-oxoethyl)-2-oxopiperidin-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide
Molecular weight769.586
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.8
SynonymsBDBM50116087
3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyimino-5-[3-(2-morpholin-4-yl-2-oxo-ethyl)-2-oxo-[1,4'']bipiperidinyl-1''-yl]-pentyl}-N-ethyl-benzamide
Inchi KeyJMBOHNIWYYCZCP-DRGNSTFBSA-N
Inchi IDInChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m0/s1
PubChem CID44307821
ChEMBLCHEMBL302329
IUPHARN/A
BindingDB50116087
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
154232Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
154233Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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