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Ligand

NameCHEMBL45340
Molecular formulaC29H40F2N4O4
IUPAC name[(1S)-2-methyl-1-phenylpropyl] N-[(2R)-1-[7-(carbamoylamino)heptylamino]-3-(2,3-difluorophenyl)-2-methyl-1-oxopropan-2-yl]carbamate
Molecular weight546.66
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.2
SynonymsPD-161182
BDBM50050641
[(R)-2-(2,3-Difluoro-phenyl)-1-methyl-1-(7-ureido-heptylcarbamoyl)-ethyl]-carbamic acid (S)-2-methyl-1-phenyl-propyl ester
Inchi KeyIWEYVTFOHKCWJN-ABYGYWHVSA-N
Inchi IDInChI=1S/C29H40F2N4O4/c1-20(2)25(21-13-8-7-9-14-21)39-28(38)35-29(3,19-22-15-12-16-23(30)24(22)31)26(36)33-17-10-5-4-6-11-18-34-27(32)37/h7-9,12-16,20,25H,4-6,10-11,17-19H2,1-3H3,(H,33,36)(H,35,38)(H3,32,34,37)/t25-,29+/m0/s1
PubChem CID9915428
ChEMBLCHEMBL45340
IUPHARN/A
BindingDB50050641
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
143277Neuromedin-K receptorP16177Tacr3Rattus norvegicus (Rat)452
143278Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
143279Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
143276Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
143275Substance-P receptorP25103TACR1Homo sapiens (Human)407

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