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Ligand

NameCHEMBL372587
Molecular formulaC34H39Cl2N3O5
IUPAC name1-[2-[(3S)-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-[3-((S)-3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide
BDBM50175522
BDBM84953
MDL 105,212 (R)-enantiomer
MDL 105,212A (R)-enantiomer
[ Show all ]
Inchi KeyWZMVQZJKOVPVGZ-MGBGTMOVSA-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-/m1/s1
PubChem CID9831309
ChEMBLCHEMBL372587
IUPHARN/A
BindingDB50175522, 84953
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
386340Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
386336Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
386338Substance-K receptorP21452TACR2Homo sapiens (Human)398
462527Substance-K receptorP05363TACR2Bos taurus (Bovine)384
386337Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407
386339Substance-P receptorP25103TACR1Homo sapiens (Human)407
386341Substance-P receptorP14600Tacr1Rattus norvegicus (Rat)407

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