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Ligand

NameSCHEMBL1990943
Molecular formulaC30H32ClFN4O4
IUPAC name(2-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(1-cyanocyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-ethylcarbamate
Molecular weight567.058
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM233281
US9346786, 85
CHEMBL3963808
Inchi KeyBEKMVRLFONNGOH-UKILVPOCSA-N
Inchi IDInChI=1S/C30H32ClFN4O4/c1-2-36(29(39)40-26-6-4-3-5-24(26)32)25-18-35(17-23(25)20-7-9-22(31)10-8-20)27(37)21-11-15-34(16-12-21)28(38)30(19-33)13-14-30/h3-10,21,23,25H,2,11-18H2,1H3/t23-,25+/m0/s1
PubChem CID58312619
ChEMBLCHEMBL3963808
IUPHARN/A
BindingDB233281
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
536527Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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