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Ligand

NameAC1M72MS
Molecular formulaC24H27N5O2
IUPAC name2-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]quinoline-4-carbohydrazide
Molecular weight417.513
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsCHEMBL1302810
SMR000343329
HMS2684M24
MLS000517223
2-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]quinoline-4-carbohydrazide
Inchi KeyAHDOORIATAUKPO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27N5O2/c1-18-17-21(20-9-5-6-10-22(20)25-18)24(31)27-26-23(30)11-12-28-13-15-29(16-14-28)19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3,(H,26,30)(H,27,31)
PubChem CID2434562
ChEMBLCHEMBL1302810
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
463542Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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