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Ligand

NameCHEMBL265671
Molecular formulaC42H70N8O6
IUPAC nameethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-1-[(2S)-6-amino-2-(6-aminohexylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3,3-dimethylbutanoyl]amino]-4-methylpentanoate
Molecular weight783.072
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP4.4
SynonymsBDBM50286867
(S)-2-{(S)-2-[(S)-2-({(R)-1-[(S)-6-Amino-2-(6-amino-hexylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(1H-indol-3-yl)-propionylamino]-3,3-dimethyl-butyrylamino}-4-methyl-pentanoic acid ethyl ester
Inchi KeyGTZOSACOASNOSD-YQYWCZHNSA-N
Inchi IDInChI=1S/C42H70N8O6/c1-7-56-41(55)34(25-28(2)3)48-39(53)36(42(4,5)6)49-37(51)33(26-29-27-46-31-18-11-10-17-30(29)31)47-38(52)35-20-16-24-50(35)40(54)32(19-12-14-22-44)45-23-15-9-8-13-21-43/h10-11,17-18,27-28,32-36,45-46H,7-9,12-16,19-26,43-44H2,1-6H3,(H,47,52)(H,48,53)(H,49,51)/t32-,33-,34-,35+,36+/m0/s1
PubChem CID44264097
ChEMBLCHEMBL265671
IUPHARN/A
BindingDB50286867
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
105334Neurotensin receptor type 1O88319Ntsr1Mus musculus (Mouse)424

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