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Ligand

NameCHEMBL1791007
Molecular formulaC31H42N6O7
IUPAC name2-[(3S,6S,9R,12S,15R)-9-[(2R)-butan-2-yl]-6-(1H-indol-3-ylmethyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
Molecular weight610.712
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.2
SynonymsBDBM50407585
Inchi KeyHLEWFTJDBGBVDV-JTQGEXQXSA-N
Inchi IDInChI=1S/C31H42N6O7/c1-5-17(4)26-30(43)33-21(13-18-15-32-20-10-7-6-9-19(18)20)27(40)34-22(14-24(38)39)31(44)37-12-8-11-23(37)28(41)35-25(16(2)3)29(42)36-26/h6-7,9-10,15-17,21-23,25-26,32H,5,8,11-14H2,1-4H3,(H,33,43)(H,34,40)(H,35,41)(H,36,42)(H,38,39)/t17-,21+,22+,23-,25+,26-/m1/s1
PubChem CID56657789
ChEMBLCHEMBL1791007
IUPHARN/A
BindingDB50407585
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
117825Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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