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Ligand

NameMLS000736527
Molecular formulaC23H20N4O2S2
IUPAC nameN-[[3-(benzoylcarbamothioylamino)-4-methylphenyl]carbamothioyl]benzamide
Molecular weight448.559
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP5.5
SynonymsZINC1687247
NSC5856
CHEMBL1426572
N-[[3-(benzoylcarbamothioylamino)-4-methylphenyl]carbamothioyl]benzamide
AC1MO0B4
[ Show all ]
Inchi KeyAMKYWMQFCWYGEM-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20N4O2S2/c1-15-12-13-18(24-22(30)26-20(28)16-8-4-2-5-9-16)14-19(15)25-23(31)27-21(29)17-10-6-3-7-11-17/h2-14H,1H3,(H2,24,26,28,30)(H2,25,27,29,31)
PubChem CID3361436
ChEMBLCHEMBL1426572
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9006Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
9007Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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