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Ligand

NameCHEMBL2369588
Molecular formulaC41H64N6O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight768.997
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP2.6
SynonymsBDBM50366304
Inchi KeyMBWROXBIRQJBID-DMZFRLIVSA-N
Inchi IDInChI=1S/C41H64N6O8/c1-5-25(4)36(39(52)45-33(41(54)55)19-24(2)3)46-37(50)32(22-26-12-15-30(48)16-13-26)44-38(51)34-10-8-18-47(34)40(53)31(9-6-7-17-42)43-35(49)23-29-21-27-11-14-28(29)20-27/h12-13,15-16,24-25,27-29,31-34,36,48H,5-11,14,17-23,42H2,1-4H3,(H,43,49)(H,44,51)(H,45,52)(H,46,50)(H,54,55)/t25-,27?,28?,29?,31-,32-,33-,34-,36-/m0/s1
PubChem CID73354481
ChEMBLCHEMBL2369588
IUPHARN/A
BindingDB50366304
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
201726Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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