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Ligand

NameCHEMBL3315195
Molecular formulaC16H19BrN2O3
IUPAC name(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
Molecular weight367.243
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.5
SynonymsMCULE-8508460017
MolPort-019-825-808
AKOS016376076
ZINC70666315
1324846-73-2
[ Show all ]
Inchi KeyCDRAIXPUDIEYIM-ZDUSSCGKSA-N
Inchi IDInChI=1S/C16H19BrN2O3/c1-10(2)7-13(16(21)22)18-15(20)9-19-6-5-11-8-12(17)3-4-14(11)19/h3-6,8,10,13H,7,9H2,1-2H3,(H,18,20)(H,21,22)/t13-/m0/s1
PubChem CID56723766
ChEMBLCHEMBL3315195
IUPHARN/A
BindingDB50048911
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443254Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418

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