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Ligand

NameCHEMBL1774210
Molecular formulaC58H68F3N9O6
IUPAC name6-[4-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-2,6-dimethylpyridin-1-ium-1-yl]-N-[N'-[(4R)-5-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-4-[(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamimidoyl]hexanamide;2,2,2-trifluoroacetate
Molecular weight1044.23
Hydrogen bond acceptor11
Hydrogen bond donor6
XlogPNone
SynonymsN/A
Inchi KeyBRUUCAKPYVFGTR-RNKBXTRMSA-N
Inchi IDInChI=1S/C56H67N9O4.C2HF3O2/c1-39-33-43(27-28-44-35-47-19-13-30-64-31-14-20-48(36-44)52(47)64)34-40(2)65(39)32-11-5-10-22-50(66)63-55(57)59-29-12-21-49(53(67)60-37-41-23-25-42(26-24-41)38-61-56(58)69)62-54(68)51(45-15-6-3-7-16-45)46-17-8-4-9-18-46;3-2(4,5)1(6)7/h3-4,6-9,15-18,23-28,33-36,49,51H,5,10-14,19-22,29-32,37-38H2,1-2H3,(H7-,57,58,59,60,61,62,63,66,67,68,69);(H,6,7)/t49-;/m1./s1
PubChem CID54587218
ChEMBLCHEMBL1774210
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31375Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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