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Ligand

NameCHEMBL278301
Molecular formulaC43H63F3N6O9
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(6-aminohexyl)-5-(5-aminopentoxy)-1H-indole-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
Molecular weight865.005
Hydrogen bond acceptor14
Hydrogen bond donor9
XlogPNone
SynonymsN/A
Inchi KeyBZLLPRXAHOVPHB-AWAWMKESSA-N
Inchi IDInChI=1S/C41H62N6O7.C2HF3O2/c1-5-27(4)36(39(50)46-35(41(52)53)23-26(2)3)47-38(49)34(24-28-14-16-29(48)17-15-28)45-40(51)37-31(13-9-6-7-10-20-42)32-25-30(18-19-33(32)44-37)54-22-12-8-11-21-43;3-2(4,5)1(6)7/h14-19,25-27,34-36,44,48H,5-13,20-24,42-43H2,1-4H3,(H,45,51)(H,46,50)(H,47,49)(H,52,53);(H,6,7)/t27-,34-,35-,36-;/m0./s1
PubChem CID44274329
ChEMBLCHEMBL278301
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
36560Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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