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Ligand

NameMDL-105212
Molecular formulaC34H39Cl2N3O5
IUPAC name1-[2-[(3R)-3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight640.602
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.7
Synonyms1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
ZINC3946365
MDL 103,392A racemate
BDBM50175494
PDSP2_000651
[ Show all ]
Inchi KeyWZMVQZJKOVPVGZ-XIFFEERXSA-N
Inchi IDInChI=1S/C34H39Cl2N3O5/c1-42-28-19-23(20-29(43-2)30(28)44-3)31(40)39-18-12-33(22-39,25-9-10-26(35)27(36)21-25)11-15-38-16-13-34(14-17-38,32(37)41)24-7-5-4-6-8-24/h4-10,19-21H,11-18,22H2,1-3H3,(H2,37,41)/t33-/m0/s1
PubChem CID153996
ChEMBLCHEMBL330366
IUPHARN/A
BindingDB50175494, 50290297
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
386355Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
386346Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
386353Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
386347Substance-K receptorP21452TACR2Homo sapiens (Human)398
386351Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
386352Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
386354Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
386356Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
462528Substance-K receptorP05363TACR2Bos taurus (Bovine)384
386348Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407
386349Substance-P receptorP25103TACR1Homo sapiens (Human)407
386350Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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