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Ligand

NameSMR000095640
Molecular formulaC24H25N5O3S
IUPAC nameN-(3-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular weight463.556
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsMLS000118700
N-(3-methoxyphenyl)-2-((4-(4-methoxyphenyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
N-(3-methoxyphenyl)-2-({4-(4-methoxyphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)acetamide
AC1NSDGO
MLS000878580
[ Show all ]
Inchi KeyAIFLLHWMZIKAAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N5O3S/c1-28-13-5-7-19(28)15-22-26-27-24(29(22)18-9-11-20(31-2)12-10-18)33-16-23(30)25-17-6-4-8-21(14-17)32-3/h4-14H,15-16H2,1-3H3,(H,25,30)
PubChem CID5307866
ChEMBLCHEMBL1424889
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
463618Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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