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Ligand

NameCHEMBL282363
Molecular formulaC35H48N8O10S2
IUPAC name(4S,7R,10S,13R,16S,19S)-19-acetamido-10-(4-aminobutyl)-13-(hydroxymethyl)-7,16-bis[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight804.935
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP-0.9
SynonymsN/A
Inchi KeyNLBXPFFCXVVPII-YHRKHFDESA-N
Inchi IDInChI=1S/C35H48N8O10S2/c1-19(45)38-29-18-55-54-17-28(30(37)48)43-33(51)26(15-21-7-11-23(47)12-8-21)40-31(49)24(4-2-3-13-36)39-34(52)27(16-44)42-32(50)25(41-35(29)53)14-20-5-9-22(46)10-6-20/h5-12,24-29,44,46-47H,2-4,13-18,36H2,1H3,(H2,37,48)(H,38,45)(H,39,52)(H,40,49)(H,41,53)(H,42,50)(H,43,51)/t24-,25-,26+,27+,28+,29+/m0/s1
PubChem CID44278259
ChEMBLCHEMBL282363
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
450585Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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