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Ligand

NameCHEMBL488255
Molecular formulaC27H29N5O6
IUPAC namemethyl (2S)-2-[5,7-dimethyl-3-[2-[[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]propanoate
Molecular weight519.558
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50246272
(S)-methyl 2-(5,7-dimethyl-3-(2-((R)-3-methyl-2,5-dioxo-1'',3''-dihydrospiro[imidazolidine-4,2''-indene]-5''-ylamino)-2-oxoethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)propanoate
Inchi KeyBSJYDQGLLSLMFP-RKOGDMNLSA-N
Inchi IDInChI=1S/C27H29N5O6/c1-14-8-15(2)22-20(9-14)31(26(37)32(22)16(3)23(34)38-5)13-21(33)28-19-7-6-17-11-27(12-18(17)10-19)24(35)29-25(36)30(27)4/h6-10,16H,11-13H2,1-5H3,(H,28,33)(H,29,35,36)/t16-,27+/m0/s1
PubChem CID44563051
ChEMBLCHEMBL488255
IUPHARN/A
BindingDB50246272
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31738Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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