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Ligand

NameCHEMBL78851
Molecular formulaC35H37Cl4N5O5
IUPAC namemethyl 2-[3-[1-[(3R,4Z)-5-[(3,5-dichlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)-4-methoxyiminopentyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]acetate
Molecular weight749.511
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP7.4
SynonymsBDBM50116730
[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-amino]-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperidin-4-yl)-2-oxo-2,3-dihydro-benzoimidazol-1-yl]-acetic acid methyl ester
Inchi KeyAXOFNMUYIHBQIG-HSMZZXILSA-N
Inchi IDInChI=1S/C35H37Cl4N5O5/c1-41(34(46)23-16-24(36)19-25(37)17-23)20-30(40-49-3)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)44-32-7-5-4-6-31(32)43(35(44)47)21-33(45)48-2/h4-9,16-19,26-27H,10-15,20-21H2,1-3H3/b40-30+/t27-/m1/s1
PubChem CID44315576
ChEMBLCHEMBL78851
IUPHARN/A
BindingDB50116730
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16900Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
16902Substance-K receptorP21452TACR2Homo sapiens (Human)398
16901Substance-P receptorP25103TACR1Homo sapiens (Human)407

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