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Ligand

NameCHEMBL129316
Molecular formulaC43H62N8O8S2
IUPAC name(11S,14R,17S,20R,23R)-N-(2-aminoethyl)-14-(2-amino-2-oxoethyl)-20-benzyl-23-[(4-ethoxyphenyl)methyl]-13,16,19,22,25-pentaoxo-17-propan-2-yl-7,9-dithia-12,15,18,21,24-pentazaspiro[5.20]hexacosane-11-carboxamide
Molecular weight883.137
Hydrogen bond acceptor11
Hydrogen bond donor8
XlogP2.7
SynonymsN/A
Inchi KeyNIGRNTVUFSAKSR-VYGCBIOZSA-N
Inchi IDInChI=1S/C43H62N8O8S2/c1-4-59-30-15-13-29(14-16-30)22-31-39(55)48-32(21-28-11-7-5-8-12-28)41(57)51-37(27(2)3)42(58)49-33(23-35(45)52)40(56)50-34(38(54)46-20-19-44)25-60-26-61-43(24-36(53)47-31)17-9-6-10-18-43/h5,7-8,11-16,27,31-34,37H,4,6,9-10,17-26,44H2,1-3H3,(H2,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,58)(H,50,56)(H,51,57)/t31-,32-,33-,34-,37+/m1/s1
PubChem CID44351410
ChEMBLCHEMBL129316
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
223996Vasopressin V2 receptorP32307AVPR2Sus scrofa (Pig)370

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