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Ligand

NameSCHEMBL1990795
Molecular formulaC30H29F3N6O3
IUPAC name(4-fluorophenyl) N-[(3S,4R)-1-[1-(6-cyanopyridazin-3-yl)piperidine-4-carbonyl]-4-(3,4-difluorophenyl)pyrrolidin-3-yl]-N-ethylcarbamate
Molecular weight578.596
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP4.0
SynonymsUS9346786, 58
CHEMBL3972535
BDBM233254
Inchi KeyBUYYAMACTLBDSL-RPLLCQBOSA-N
Inchi IDInChI=1S/C30H29F3N6O3/c1-2-39(30(41)42-23-7-4-21(31)5-8-23)27-18-38(17-24(27)20-3-9-25(32)26(33)15-20)29(40)19-11-13-37(14-12-19)28-10-6-22(16-34)35-36-28/h3-10,15,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
PubChem CID53246865
ChEMBLCHEMBL3972535
IUPHARN/A
BindingDB233254
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
536854Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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