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Ligand

Name2-((2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)-N-(3,5-dimethylphenyl)acetamide
Molecular formulaC28H25ClN4O3S
IUPAC name2-[[5-(3-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Molecular weight533.043
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.3
SynonymsE544-0239
2-{[2-(3-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl]thio}-N-(3,5-dimethylphenyl)acetamide
MCULE-9957937786
ZINC8589036
F1609-0151
[ Show all ]
Inchi KeyAGRIJZGUAKRPCU-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H25ClN4O3S/c1-15-7-16(2)9-21(8-15)31-24(35)14-37-28-23-11-22-19(13-34)12-30-17(3)25(22)36-27(23)32-26(33-28)18-5-4-6-20(29)10-18/h4-10,12,34H,11,13-14H2,1-3H3,(H,31,35)
PubChem CID16018980
ChEMBLCHEMBL1315499
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
463506Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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