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Ligand

NameCHEMBL1092838
Molecular formulaC27H25N5O3
IUPAC name(7S)-1'-methyl-2-[(4-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-yl)methyl]spiro[6,8-dihydrocyclopenta[g]quinoline-7,5'-imidazolidine]-2',4'-dione
Molecular weight467.529
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50315406
(4''S)-3''-methyl-2-((2a-methyl-4-oxo-2a,3,4,5-tetrahydropyrrolo[4,3,2-de]quinolin-1(2H)-yl)methyl)-6,8-dihydrospiro[cyclopenta[g]quinoline-7,4''-imidazolidine]-2'',5''-dione
Inchi KeyBPFRJWCFOHDGJV-GEVKEYJPSA-N
Inchi IDInChI=1S/C27H25N5O3/c1-26-12-22(33)29-19-4-3-5-21(23(19)26)32(14-26)13-18-7-6-15-8-16-10-27(11-17(16)9-20(15)28-18)24(34)30-25(35)31(27)2/h3-9H,10-14H2,1-2H3,(H,29,33)(H,30,34,35)/t26?,27-/m0/s1
PubChem CID46885243
ChEMBLCHEMBL1092838
IUPHARN/A
BindingDB50315406
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
29516Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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