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Ligand

NameSMR000198124
Molecular formulaC21H20F3N3O4S
IUPAC nameN-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]naphthalene-2-sulfonamide
Molecular weight467.463
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.8
SynonymsMLS000577044
N-(4-{[2-nitro-4-(trifluoromethyl)phenyl]amino}butyl)-2-naphthalenesulfonamide
AC1MGJMR
MLS002541499
CHEMBL1556272
[ Show all ]
Inchi KeyADDCDDPNHJPLRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N3O4S/c22-21(23,24)17-8-10-19(20(14-17)27(28)29)25-11-3-4-12-26-32(30,31)18-9-7-15-5-1-2-6-16(15)13-18/h1-2,5-10,13-14,25-26H,3-4,11-12H2
PubChem CID2936924
ChEMBLCHEMBL1556272
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463198Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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