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Ligand

NameCHEMBL1090841
Molecular formulaC26H23N5O3
IUPAC name(7S)-1'-methyl-2-[(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 weight453.502
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.6
SynonymsBDBM50315404
(4''S)-3''-methyl-2-((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 KeyBKBXKZHHJMLDJU-KKFPZRRJSA-N
Inchi IDInChI=1S/C26H23N5O3/c1-30-25(34)29-24(33)26(30)10-15-7-14-5-6-18(27-20(14)8-16(15)11-26)13-31-12-17-9-22(32)28-19-3-2-4-21(31)23(17)19/h2-8,17H,9-13H2,1H3,(H,28,32)(H,29,33,34)/t17?,26-/m0/s1
PubChem CID46885186
ChEMBLCHEMBL1090841
IUPHARN/A
BindingDB50315404
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
25644Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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