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Ligand

NameMLS001218130
Molecular formulaC14H20N6OS
IUPAC name2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-N-cyclohexylacetamide
Molecular weight320.415
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsCHEMBL1452223
HMS2911B19
ZINC15936077
AKOS000742759
SMR000607539
[ Show all ]
Inchi KeyABSFMNSRECBHSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H20N6OS/c1-9-7-11-18-19-14(20(11)13(15)16-9)22-8-12(21)17-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H2,15,16)(H,17,21)
PubChem CID24792337
ChEMBLCHEMBL1452223
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
1122Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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