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Ligand

NameCHEMBL3582340
Molecular formulaC29H28FN9O2
IUPAC name5-[(1R,3R)-1-(1-ethylpyrazol-4-yl)-3-[5-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3-propan-2-yl-1,3,4-oxadiazol-2-one
Molecular weight553.602
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP2.8
SynonymsBDBM50091504
Inchi KeyBGBRPPONHQFLEX-RNWIMVQKSA-N
Inchi IDInChI=1S/C29H28FN9O2/c1-4-38-15-17(12-33-38)29(27-37-39(16(2)3)28(40)41-27)25-20(19-7-5-6-8-21(19)34-25)11-23(36-29)26-32-14-24(35-26)22-10-9-18(30)13-31-22/h5-10,12-16,23,34,36H,4,11H2,1-3H3,(H,32,35)/t23-,29-/m1/s1
PubChem CID122179479
ChEMBLCHEMBL3582340
IUPHARN/A
BindingDB50091504
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
465722Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418

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