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Ligand

NameCHEMBL47146
Molecular formulaC29H41FN4O4
IUPAC name[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2-fluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate
Molecular weight528.669
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.1
SynonymsD0J3AO
PD-160946
[(R)-2-(2-Fluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester
BDBM50050652
Inchi KeyZAYADERDILOEBG-ABYGYWHVSA-N
Inchi IDInChI=1S/C29H41FN4O4/c1-21(2)25(22-14-8-7-9-15-22)38-28(37)34-29(3,20-23-16-10-11-17-24(23)30)26(35)32-18-12-5-4-6-13-19-33-27(31)36/h7-11,14-17,21,25H,4-6,12-13,18-20H2,1-3H3,(H,32,35)(H,34,37)(H3,31,33,36)/t25-,29+/m0/s1
PubChem CID9914897
ChEMBLCHEMBL47146
IUPHARN/A
BindingDB50050652
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
424065Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
424068Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
424069Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
424067Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
424066Substance-P receptorP25103TACR1Homo sapiens (Human)407

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