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Ligand

NameSCHEMBL1993496
Molecular formulaC31H30ClFN6O3
IUPAC name(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(5-cyanopyrazin-2-yl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-cyclopropylcarbamate
Molecular weight589.068
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM233229
CHEMBL3985128
US9346786, 33
Inchi KeyAFCKPNLNUZMTRI-WUFINQPMSA-N
Inchi IDInChI=1S/C31H30ClFN6O3/c32-22-3-1-20(2-4-22)27-18-38(30(40)21-11-13-37(14-12-21)29-17-35-24(15-34)16-36-29)19-28(27)39(25-7-8-25)31(41)42-26-9-5-23(33)6-10-26/h1-6,9-10,16-17,21,25,27-28H,7-8,11-14,18-19H2/t27-,28+/m0/s1
PubChem CID53246154
ChEMBLCHEMBL3985128
IUPHARN/A
BindingDB233229
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
536027Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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