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Ligand

NameSCHEMBL6837152
Molecular formulaC29H29Cl2F3N4O2
IUPAC name[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidin-1-yl]-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]methanone
Molecular weight593.472
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP6.5
SynonymsUS8507535, 22
CHEMBL3648216
BDBM100783
Inchi KeyAXZRKMLGUZQSDI-UFHPHHKVSA-N
Inchi IDInChI=1S/C29H29Cl2F3N4O2/c1-28(18-40-26-9-7-23(31)15-36-26)17-38(16-24(28)19-2-5-22(30)6-3-19)27(39)20-10-12-37(13-11-20)25-8-4-21(14-35-25)29(32,33)34/h2-9,14-15,20,24H,10-13,16-18H2,1H3/t24-,28-/m1/s1
PubChem CID56592115
ChEMBLCHEMBL3648216
IUPHARN/A
BindingDB100783
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
17256Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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