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Ligand

NameCHEMBL337179
Molecular formulaC42H53N5O5
IUPAC nametert-butyl (2S)-6-amino-2-[[(3S)-2-[[1-(2,2-diphenylacetyl)piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)butanoyl]amino]hexanoate
Molecular weight707.916
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.6
SynonymsBDBM50096810
(S)-6-Amino-2-[(S)-2-[(1-diphenylacetyl-piperidine-3-carbonyl)-amino]-3-(1H-indol-3-yl)-butyrylamino]-hexanoic acid tert-butyl ester
Inchi KeyAUBQUXYCNPBQLF-QXPPEDJNSA-N
Inchi IDInChI=1S/C42H53N5O5/c1-28(33-26-44-34-22-12-11-21-32(33)34)37(39(49)45-35(23-13-14-24-43)41(51)52-42(2,3)4)46-38(48)31-20-15-25-47(27-31)40(50)36(29-16-7-5-8-17-29)30-18-9-6-10-19-30/h5-12,16-19,21-22,26,28,31,35-37,44H,13-15,20,23-25,27,43H2,1-4H3,(H,45,49)(H,46,48)/t28-,31?,35-,37?/m0/s1
PubChem CID44354504
ChEMBLCHEMBL337179
IUPHARN/A
BindingDB50096810
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14493Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369

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