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Ligand

NameCHEMBL446604
Molecular formulaC37H50N4O4
IUPAC name1-[[(E)-3-(2-methylphenyl)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 weight614.831
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.1
SynonymsN/A
Inchi KeyAHBIKCVHRSENAB-QXORNKNPSA-N
Inchi IDInChI=1S/C37H50N4O4/c1-28-9-5-6-12-32(28)13-14-34(42)40-37(19-7-8-20-37)36(44)39-33(25-29-10-3-2-4-11-29)35(43)38-26-30-15-21-41(22-16-30)27-31-17-23-45-24-18-31/h2-6,9-14,30-31,33H,7-8,15-27H2,1H3,(H,38,43)(H,39,44)(H,40,42)/b14-13+/t33-/m1/s1
PubChem CID44577905
ChEMBLCHEMBL446604
IUPHARN/A
BindingDBN/A
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5406Substance-K receptorP21452TACR2Homo sapiens (Human)398

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