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Ligand

NameMLS000876956
Molecular formulaC24H35NO4
IUPAC name(3E,9E)-5,6-dihydroxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione
Molecular weight401.547
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.5
SynonymsBRD-A49950426-001-01-0
REGID_for_CID_14286542
MCULE-4553790438
ACon0_000483
MolPort-001-739-347
[ Show all ]
Inchi KeyGCIKKGSNXSCKCP-HUKVCQRGSA-N
Inchi IDInChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+
PubChem CID14286542
ChEMBLCHEMBL1981103
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
92957G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
92958G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319
92959Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
92960Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
474373Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
92956Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
92961Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384

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