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Ligand

NameGR100679
Molecular formulaC34H44N6O5
IUPAC nameN-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
Molecular weight616.763
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP3.4
SynonymsN-[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-dimethylamino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclohexanecarboxamide
GR 100679
GTPL3880
CHEMBL174356
GR-100679
[ Show all ]
Inchi KeyIBHXDZADSPABSD-GJDOKZOISA-N
Inchi IDInChI=1S/C34H44N6O5/c1-22(37-30(41)21-36-32(43)24-14-8-5-9-15-24)31(42)38-28(19-25-20-35-27-17-11-10-16-26(25)27)33(44)39-29(34(45)40(2)3)18-23-12-6-4-7-13-23/h4,6-7,10-13,16-17,20,22,24,28-29,35H,5,8-9,14-15,18-19,21H2,1-3H3,(H,36,43)(H,37,41)(H,38,42)(H,39,44)/t22-,28+,29-/m0/s1
PubChem CID5311129
ChEMBLCHEMBL174356
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
129126Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
129127Substance-K receptorP16610Tacr2Rattus norvegicus (Rat)390
129125Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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