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Ligand

NameCHEMBL2370830
Molecular formulaC32H44N6O7
IUPAC name2-[(3S,6S,9R,12S,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.4.0]nonadecan-3-yl]acetic acid
Molecular weight624.739
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP2.5
SynonymsBDBM50407622
Inchi KeyCOTPNFPJQWKMIM-HOIWYFOJSA-N
Inchi IDInChI=1S/C32H44N6O7/c1-17(2)13-22-28(41)34-23(14-19-16-33-21-10-6-5-9-20(19)21)29(42)36-24(15-26(39)40)32(45)38-12-8-7-11-25(38)30(43)37-27(18(3)4)31(44)35-22/h5-6,9-10,16-18,22-25,27,33H,7-8,11-15H2,1-4H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t22-,23+,24+,25+,27+/m1/s1
PubChem CID73353088
ChEMBLCHEMBL2370830
IUPHARN/A
BindingDB50407622
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
47003Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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