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Ligand

NameSCHEMBL1990036
Molecular formulaC31H33F3N4O5S
IUPAC name(4-fluorophenyl) N-[(3S,4R)-4-(3,4-difluorophenyl)-1-[1-(5-methylsulfonylpyridin-2-yl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-ethylcarbamate
Molecular weight630.683
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM233260
US9346786, 64
CHEMBL3949250
Inchi KeyANPWBSCMPPLABL-LBNVMWSVSA-N
Inchi IDInChI=1S/C31H33F3N4O5S/c1-3-38(31(40)43-23-7-5-22(32)6-8-23)28-19-37(18-25(28)21-4-10-26(33)27(34)16-21)30(39)20-12-14-36(15-13-20)29-11-9-24(17-35-29)44(2,41)42/h4-11,16-17,20,25,28H,3,12-15,18-19H2,1-2H3/t25-,28+/m0/s1
PubChem CID53246992
ChEMBLCHEMBL3949250
IUPHARN/A
BindingDB233260
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
536242Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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