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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL585664
Molecular formulaC27H28F2N4O3
IUPAC name1'-[[6-[(Z)-C-(3,4-difluorophenyl)-N-ethoxycarbonimidoyl]pyridin-3-yl]methyl]-5-methylspiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]-6-one
Molecular weight494.543
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.3
Synonyms(alphaE)-alpha-(3,4-Difluorophenyl)-N-ethoxy-5-[5'-methyl-6'-oxo-5',6'-dihydrospiro[piperidine-4,1'(3'H)-furo[3,4-c]pyridine]-1-ylmethyl]pyridine-2-methaneimine
GTPL7755
(Z)-1''-((6-((3,4-difluorophenyl)(ethoxyimino)methyl)pyridin-3-yl)methyl)-5-methyl-3H-spiro[furo[3,4-c]pyridine-1,4''-piperidin]-6(5H)-one
SCHEMBL4066961
BDBM50301708
[ Show all ]
Inchi KeyFPPIDMVDDSIXTQ-ZXPTYKNPSA-N
Inchi IDInChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
PubChem CID45487653
ChEMBLCHEMBL585664
IUPHARN/A
BindingDB50301708
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
84215Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
84216Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353
84218Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
84217Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340

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