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Ligand

NameSCHEMBL1986618
Molecular formulaC33H41ClFN3O5
IUPAC name(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-dimethyloxane-4-carbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-ethylcarbamate
Molecular weight614.155
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM233294
US9346786, 98
CHEMBL3961077
Inchi KeyBPFKGAJXLJBBHS-RENJQWLISA-N
Inchi IDInChI=1S/C33H41ClFN3O5/c1-4-38(32(41)43-27-11-9-26(35)10-12-27)29-21-37(20-28(29)22-5-7-25(34)8-6-22)30(39)23-13-16-36(17-14-23)31(40)24-15-18-42-33(2,3)19-24/h5-12,23-24,28-29H,4,13-21H2,1-3H3/t24?,28-,29+/m0/s1
PubChem CID58312622
ChEMBLCHEMBL3961077
IUPHARN/A
BindingDB233294
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
536738Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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