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Ligand

NameCHEMBL446086
Molecular formulaC36H47FN4O4
IUPAC name1-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-N-[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
Molecular weight618.794
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.8
SynonymsN/A
Inchi KeyKKZRKZNMXQNBRI-AVUDXHPJSA-N
Inchi IDInChI=1S/C36H47FN4O4/c37-31-10-6-9-28(23-31)11-12-33(42)40-36(17-4-5-18-36)35(44)39-32(24-27-7-2-1-3-8-27)34(43)38-25-29-13-19-41(20-14-29)26-30-15-21-45-22-16-30/h1-3,6-12,23,29-30,32H,4-5,13-22,24-26H2,(H,38,43)(H,39,44)(H,40,42)/b12-11+/t32-/m1/s1
PubChem CID44577898
ChEMBLCHEMBL446086
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
171711Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
171712Substance-K receptorP21452TACR2Homo sapiens (Human)398

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