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Ligand

NameCHEMBL31986
Molecular formulaC23H22N4O3S
IUPAC name1-[1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight434.514
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50219728
1-[1-[2-(4-Pyridyl)-4-methyl-5-thiazolylcarbonyl]-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazine-2-one
Inchi KeyAJMCFRCKANGIPC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N4O3S/c1-15-20(31-21(25-15)16-6-10-24-11-7-16)22(28)26-12-8-18(9-13-26)27-19-5-3-2-4-17(19)14-30-23(27)29/h2-7,10-11,18H,8-9,12-14H2,1H3
PubChem CID44278983
ChEMBLCHEMBL31986
IUPHARN/A
BindingDB50219728
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
7031Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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