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Ligand

Name4-[((4-methoxybenzyl){[(2-methoxyphenyl)amino]carbonothioyl}amino)methyl]cyclohexanecarboxylic acid
Molecular formulaC24H30N2O4S
IUPAC name4-[[(2-methoxyphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
Molecular weight442.574
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL1863716
SR-01000582766-1
MLS000673578
AKOS001587252
SMR000314819
[ Show all ]
Inchi KeyGWTFPMQVFXBOOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30N2O4S/c1-29-20-13-9-18(10-14-20)16-26(15-17-7-11-19(12-8-17)23(27)28)24(31)25-21-5-3-4-6-22(21)30-2/h3-6,9-10,13-14,17,19H,7-8,11-12,15-16H2,1-2H3,(H,25,31)(H,27,28)
PubChem CID16189605
ChEMBLCHEMBL1326627
IUPHARN/A
BindingDB211166
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
520148Taste receptor type 2 member 14Q9NYV8TAS2R14Homo sapiens (Human)317

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