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Ligand

Namecarboxylic acid agonist, 44
Molecular formulaC17H20N2O4S
IUPAC name3-[4-[[3-(methanesulfonamido)phenyl]methylamino]phenyl]propanoic acid
Molecular weight348.417
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.1
SynonymsCHEMBL234056
BDBM22527
3-(4-{[(3-methanesulfonamidophenyl)methyl]amino}phenyl)propanoic acid
Inchi KeyBKWPLPOBVTZXQN-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N2O4S/c1-24(22,23)19-16-4-2-3-14(11-16)12-18-15-8-5-13(6-9-15)7-10-17(20)21/h2-6,8-9,11,18-19H,7,10,12H2,1H3,(H,20,21)
PubChem CID24825508
ChEMBLCHEMBL234056
IUPHARN/A
BindingDB22527
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
26238Free fatty acid receptor 1O14842FFAR1Homo sapiens (Human)300

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