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Ligand

NameCHEMBL2035981
Molecular formulaC32H31F2N5O3
IUPAC name2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
Molecular weight571.629
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.9
SynonymsGWAJYOYPXYSDHT-IOWSJCHKSA-N
2-[(8R)-8-(3,5-Difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]-N-[(2R)-2'-oxo-1,1'2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl]acetamide
SCHEMBL3701519
2-[(8R)-8-(3,5-difluorophenyl)-8-methyl-10-oxo-6,9-diazaspiro[4.5]dec-9-yl]-N-[(2R)-2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl]acetamide
BDBM50385314
Inchi KeyGWAJYOYPXYSDHT-IOWSJCHKSA-N
Inchi IDInChI=1S/C32H31F2N5O3/c1-30(21-12-22(33)14-23(34)13-21)18-36-32(8-2-3-9-32)29(42)39(30)17-26(40)37-24-7-6-19-15-31(16-20(19)11-24)25-5-4-10-35-27(25)38-28(31)41/h4-7,10-14,36H,2-3,8-9,15-18H2,1H3,(H,37,40)(H,35,38,41)/t30-,31+/m0/s1
PubChem CID57977652
ChEMBLCHEMBL2035981
IUPHARN/A
BindingDB50385314
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106717Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461
106718Calcitonin gene-related peptide type 1 receptorQ63118CalcrlRattus norvegicus (Rat)464

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