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Ligand

NameCHEMBL56835
Molecular formulaC31H35Cl2N3O2
IUPAC nameN-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Molecular weight552.54
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
Synonyms159125-41-4
KB-57369
Benzamide,N-[4-[4-(acetylamino)-4-phenyl-1-piperidinyl]-2-(3,4-dichlorophenyl)butyl]-N-methyl-
N-[4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide
DB-014910
[ Show all ]
Inchi KeyPGKXDIMONUAMFR-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)
PubChem CID9850582
ChEMBLCHEMBL56835
IUPHARN/A
BindingDB50071112
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
259155Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
259157Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
259154Substance-K receptorP21452TACR2Homo sapiens (Human)398
259158Substance-K receptorP05363TACR2Bos taurus (Bovine)384
259159Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
259161Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
259156Substance-P receptorP25103TACR1Homo sapiens (Human)407
259160Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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