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Ligand

NameMLS000580448
Molecular formulaC12H22N2OS
IUPAC nameN-(azepane-1-carbothioyl)-3-methylbutanamide
Molecular weight242.381
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.4
SynonymsSR-01000271532-1
HMS3311D16
MolPort-002-124-830
AC1MHCOB
SMR000199334
[ Show all ]
Inchi KeyJIVYHJYHEHECNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H22N2OS/c1-10(2)9-11(15)13-12(16)14-7-5-3-4-6-8-14/h10H,3-9H2,1-2H3,(H,13,15,16)
PubChem CID2949854
ChEMBLCHEMBL1489472
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
151995Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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