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Ligand

NameCHEMBL307733
Molecular formulaC34H39Cl4N5O4
IUPAC name3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-5-[4-[3-(furan-3-ylmethyl)-2-oxo-1,3-diazinan-1-yl]piperidin-1-yl]-2-methoxyiminopentyl]-N-methylbenzamide
Molecular weight723.517
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP7.0
SynonymsBDBM50116744
N-[(3R)-2-(Methoxyimino)-3-(3,4-dichlorophenyl)-5-[4-[2-oxo-3-(3-furanylmethyl)hexahydropyrimidine-1-yl]piperidino]pentyl]-N-methyl-3,5-dichlorobenzamide
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(3-furan-3-ylmethyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide
Inchi KeyBEMWOCKAHZVMIH-YCTXJJCUSA-N
Inchi IDInChI=1S/C34H39Cl4N5O4/c1-40(33(44)25-16-26(35)19-27(36)17-25)21-32(39-46-2)29(24-4-5-30(37)31(38)18-24)8-14-41-12-6-28(7-13-41)43-11-3-10-42(34(43)45)20-23-9-15-47-22-23/h4-5,9,15-19,22,28-29H,3,6-8,10-14,20-21H2,1-2H3/b39-32+/t29-/m1/s1
PubChem CID44315298
ChEMBLCHEMBL307733
IUPHARN/A
BindingDB50116744
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
21725Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
21726Substance-K receptorP21452TACR2Homo sapiens (Human)398
21724Substance-P receptorP25103TACR1Homo sapiens (Human)407

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