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Ligand

NameSCHEMBL1984740
Molecular formulaC27H30ClF2N3O4
IUPAC name(4-fluorophenyl) N-[(3S,4R)-1-(1-acetylpiperidine-4-carbonyl)-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-N-ethylcarbamate
Molecular weight534.001
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.9
SynonymsUS9346786, 80
CHEMBL3955374
BDBM233276
Inchi KeyAQZPAWUXICTDCZ-WIOPSUGQSA-N
Inchi IDInChI=1S/C27H30ClF2N3O4/c1-3-33(27(36)37-21-7-5-20(29)6-8-21)25-16-32(15-22(25)19-4-9-23(28)24(30)14-19)26(35)18-10-12-31(13-11-18)17(2)34/h4-9,14,18,22,25H,3,10-13,15-16H2,1-2H3/t22-,25+/m0/s1
PubChem CID53247482
ChEMBLCHEMBL3955374
IUPHARN/A
BindingDB233276
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
536311Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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