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Ligand

NameCHEMBL446146
Molecular formulaC34H43Cl4N5O4
IUPAC name3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-methoxyiminopentyl]-N-methylbenzamide
Molecular weight727.549
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.2
SynonymsBDBM50116089
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimethylcarbamoylmethyl-2-oxo-[1,4'']bipiperidinyl-1''-yl)-2-methoxyimino-pentyl]-N-ethyl-benzamide
Inchi KeyKSKVAYCSTHFCER-KGHBKMJJSA-N
Inchi IDInChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+
PubChem CID9875181
ChEMBLCHEMBL446146
IUPHARN/A
BindingDB50116089
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
177106Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
177107Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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