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Ligand

NameCHEMBL21521
Molecular formulaC43H63F3N6O9
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[3-(6-aminohexyl)-7-(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 KeyQKYAWBPBOWGJLQ-UXMXCWPGSA-N
Inchi IDInChI=1S/C41H62N6O7.C2HF3O2/c1-5-27(4)35(39(50)45-33(41(52)53)24-26(2)3)47-38(49)32(25-28-17-19-29(48)20-18-28)44-40(51)37-31(14-9-6-7-10-21-42)30-15-13-16-34(36(30)46-37)54-23-12-8-11-22-43;3-2(4,5)1(6)7/h13,15-20,26-27,32-33,35,46,48H,5-12,14,21-25,42-43H2,1-4H3,(H,44,51)(H,45,50)(H,47,49)(H,52,53);(H,6,7)/t27-,32-,33-,35-;/m0./s1
PubChem CID44274348
ChEMBLCHEMBL21521
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
280822Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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