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Ligand

NameCHEMBL556703
Molecular formulaC28H25N5O3
IUPAC name2-[(4S)-7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
Molecular weight479.54
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50296788
2-((S)-5-methyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,2-de]quinolin-1(2H)-yl)-N-((S)-2''-oxo-1,1'',2'',3-tetrahydrospiro[indene-2,3''-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
Inchi KeyBXLDLKVUVUTHPO-WRHNGFHOSA-N
Inchi IDInChI=1S/C28H25N5O3/c1-32-21-5-2-6-22-25(21)18(11-24(32)35)14-33(22)15-23(34)30-19-8-7-16-12-28(13-17(16)10-19)20-4-3-9-29-26(20)31-27(28)36/h2-10,18H,11-15H2,1H3,(H,30,34)(H,29,31,36)/t18-,28+/m1/s1
PubChem CID45273525
ChEMBLCHEMBL556703
IUPHARN/A
BindingDB50296788
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35185Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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