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Ligand

NameCHEMBL1790466
Molecular formulaC38H55N7O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-(pyridine-3-carbonylamino)hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight737.899
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP0.8
SynonymsBDBM50366298
Inchi KeyDYZGFQYLQUIJAR-WNEILBGNSA-N
Inchi IDInChI=1S/C38H55N7O8/c1-5-24(4)32(36(50)43-30(38(52)53)20-23(2)3)44-34(48)29(21-25-13-15-27(46)16-14-25)42-35(49)31-12-9-19-45(31)37(51)28(11-6-7-17-39)41-33(47)26-10-8-18-40-22-26/h8,10,13-16,18,22-24,28-32,46H,5-7,9,11-12,17,19-21,39H2,1-4H3,(H,41,47)(H,42,49)(H,43,50)(H,44,48)(H,52,53)/t24-,28+,29+,30+,31+,32+/m1/s1
PubChem CID56665745
ChEMBLCHEMBL1790466
IUPHARN/A
BindingDB50366298
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
72431Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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