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Ligand

NameCHEMBL2369587
Molecular formulaC42H66N6O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-(1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl)acetyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight783.024
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP3.1
SynonymsBDBM50366302
Inchi KeyUJSOJPDHNUFLSP-SNICJWLRSA-N
Inchi IDInChI=1S/C42H66N6O8/c1-5-26(4)37(40(53)46-34(42(55)56)22-25(2)3)47-38(51)33(23-27-14-18-30(49)19-15-27)45-39(52)35-13-9-21-48(35)41(54)32(12-6-7-20-43)44-36(50)24-29-17-16-28-10-8-11-31(28)29/h14-15,18-19,25-26,28-29,31-35,37,49H,5-13,16-17,20-24,43H2,1-4H3,(H,44,50)(H,45,52)(H,46,53)(H,47,51)(H,55,56)/t26-,28?,29?,31?,32-,33-,34-,35-,37-/m0/s1
PubChem CID73356042
ChEMBLCHEMBL2369587
IUPHARN/A
BindingDB50366302
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
338425Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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