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Ligand

NameCHEMBL439076
Molecular formulaC49H50F2N8O6
IUPAC nameethyl 3-[[benzyl-[2-[[(2S)-3-methyl-1-oxo-1-(3-phenylprop-2-ynylamino)butan-2-yl]amino]-2-oxoethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Molecular weight884.986
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogP6.7
SynonymsBDBM50376891
Inchi KeyAPSPIRFRZVFKQV-QLKFWGTOSA-N
Inchi IDInChI=1S/C49H50F2N8O6/c1-5-52-48(64)54-36-24-22-35(23-25-36)44-41(59-46(62)38(47(63)65-6-2)29-58(49(59)56-44)28-37-39(50)20-13-21-40(37)51)30-57(27-34-17-11-8-12-18-34)31-42(60)55-43(32(3)4)45(61)53-26-14-19-33-15-9-7-10-16-33/h7-13,15-18,20-25,29,32,43H,5-6,26-28,30-31H2,1-4H3,(H,53,61)(H,55,60)(H2,52,54,64)/t43-/m0/s1
PubChem CID44451379
ChEMBLCHEMBL439076
IUPHARN/A
BindingDB50376891
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11302Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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