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Ligand

NameCHEMBL285013
Molecular formulaC25H28N4O5S
IUPAC nameN-[2-[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]indol-1-yl]ethyl]methanesulfonamide
Molecular weight496.582
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.1
SynonymsBDBM50219517
Inchi KeyAARUTYYLKCCTJR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N4O5S/c1-35(32,33)26-11-15-27-12-8-18-16-19(6-7-22(18)27)24(30)28-13-9-21(10-14-28)29-23-5-3-2-4-20(23)17-34-25(29)31/h2-8,12,16,21,26H,9-11,13-15,17H2,1H3
PubChem CID44279509
ChEMBLCHEMBL285013
IUPHARN/A
BindingDB50219517
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
468Oxytocin receptorP30559OXTRHomo sapiens (Human)389

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