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Ligand

NameCHEMBL499689
Molecular formulaC37H52N4O5
IUPAC nameN-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-4-propoxybenzamide
Molecular weight632.846
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.2
SynonymsN/A
Inchi KeyAIFJDFHLBQHZDX-MGBGTMOVSA-N
Inchi IDInChI=1S/C37H52N4O5/c1-2-22-46-32-12-10-31(11-13-32)34(42)40-37(18-6-7-19-37)36(44)39-33(25-28-8-4-3-5-9-28)35(43)38-26-29-14-20-41(21-15-29)27-30-16-23-45-24-17-30/h3-5,8-13,29-30,33H,2,6-7,14-27H2,1H3,(H,38,43)(H,39,44)(H,40,42)/t33-/m1/s1
PubChem CID44577889
ChEMBLCHEMBL499689
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
6165Substance-K receptorP21452TACR2Homo sapiens (Human)398

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