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Ligand

NameSMR000068604
Molecular formulaC23H17N5O2S
IUPAC name2-[4-[(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1,3,4-oxadiazole
Molecular weight427.482
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.7
Synonyms2-[4-[(2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1,3,4-oxadiazole
3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-5-(pyridin-3-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene
852222-84-5
AC1M9WV9
AKOS034152274
[ Show all ]
Inchi KeyAFVJVSLUFOZAOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H17N5O2S/c1-2-6-18-17(5-1)19-22(26-20(27-23(19)31-18)15-4-3-11-24-12-15)30-16-9-7-14(8-10-16)21-28-25-13-29-21/h3-4,7-13H,1-2,5-6H2
PubChem CID2566577
ChEMBLCHEMBL1363103
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
4529Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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