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Ligand

NameCHEMBL3680187
Molecular formulaC32H32ClFN4O3
IUPAC name(4-fluorophenyl) N-[(3R,4S)-4-(4-chlorophenyl)-1-[1-(4-cyanophenyl)piperidine-4-carbonyl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate
Molecular weight575.081
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM109720
SCHEMBL10277547
US8618303, 10
Inchi KeyASCLKPXIARRCAB-PPTMTGTBSA-N
Inchi IDInChI=1S/C32H32ClFN4O3/c1-32(36(2)31(40)41-28-13-9-26(34)10-14-28)21-38(20-29(32)23-5-7-25(33)8-6-23)30(39)24-15-17-37(18-16-24)27-11-3-22(19-35)4-12-27/h3-14,24,29H,15-18,20-21H2,1-2H3/t29-,32+/m1/s1
PubChem CID57414487
ChEMBLCHEMBL3680187
IUPHARN/A
BindingDB109720
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
13001Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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