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Ligand

NameSCHEMBL6837264
Molecular formulaC27H24Cl2N4O3
IUPAC name[(3R,4R)-4-(4-chlorophenyl)-3-[(5-chloropyridin-2-yl)oxymethyl]-3-methylpyrrolidin-1-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
Molecular weight523.414
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP6.0
SynonymsBDBM100785
US8507535, 24
CHEMBL3648217
Inchi KeyAYIOTEKTRIMPPZ-YIXXDRMTSA-N
Inchi IDInChI=1S/C27H24Cl2N4O3/c1-17-31-25(32-36-17)19-3-5-20(6-4-19)26(34)33-14-23(18-7-9-21(28)10-8-18)27(2,15-33)16-35-24-12-11-22(29)13-30-24/h3-13,23H,14-16H2,1-2H3/t23-,27-/m1/s1
PubChem CID56592117
ChEMBLCHEMBL3648217
IUPHARN/A
BindingDB100785
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17486Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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