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Ligand

NameSMR000060487
Molecular formulaC21H22ClN5O
IUPAC name3-(4-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
Molecular weight395.891
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
Synonyms3-(4-chlorophenyl)-1-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea
AC1M4VSS
Oprea1_029552
MLS000048579
MLS002637386
[ Show all ]
Inchi KeyAHEYNPUBKGBBDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22ClN5O/c22-16-10-12-17(13-11-16)23-21(28)27(18-7-3-1-4-8-18)15-20-25-24-19-9-5-2-6-14-26(19)20/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,23,28)
PubChem CID2316531
ChEMBLCHEMBL1331143
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
463545Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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