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Ligand

NameCHEMBL1790463
Molecular formulaC42H64N6O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(adamantane-1-carbonylamino)-5-aminopentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight781.008
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP2.4
SynonymsBDBM50366296
Inchi KeyDVXFDOLZIKEQPP-MCJFELGWSA-N
Inchi IDInChI=1S/C42H64N6O8/c1-5-25(4)35(38(52)45-33(40(54)55)16-24(2)3)47-36(50)32(20-26-10-12-30(49)13-11-26)44-37(51)34-9-7-15-48(34)39(53)31(8-6-14-43)46-41(56)42-21-27-17-28(22-42)19-29(18-27)23-42/h10-13,24-25,27-29,31-35,49H,5-9,14-23,43H2,1-4H3,(H,44,51)(H,45,52)(H,46,56)(H,47,50)(H,54,55)/t25-,27?,28?,29?,31+,32+,33+,34+,35+,42?/m1/s1
PubChem CID56669202
ChEMBLCHEMBL1790463
IUPHARN/A
BindingDB50366296
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
70331Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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