iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 1992

Identifiers

  • Common name: 1,5-AmNS
  • Canonical SMILES: 
    Nc1cccc2c(cccc12)S(O)(=O)=O
  • IUPAC name: 
    5-aminonaphthalene-1-sulfonic acid
  • InChi: 
    InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
  • InChiKey: 
    DQNAQOYOSRJXFZ-UHFFFAOYSA-N

External links


6793
CHEMBL589370
5NS
DB07176

External search

Bibliography (1)

Publication Name
Lima Luis Mauricio T.R., Silva Vivian de Almeida, Palmieri Leonardo de Castro, Oliveira Maria Clara B.R., Foguel Débora, Polikarpov Igor. . Identification of a novel ligand binding motif in the transthyretin channel Bioorganic & Medicinal Chemistry. 2

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
3 0 0 0

Targets

PPI family Best activity Diseases MMoA
TTR 4.19 amyloidosis (disease) Stabilization
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 223.03 g/mol
HBA 4
HBD 3
HBA + HBD 7
AlogP 1.09
TPSA 83.22
RB 1
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle
Efficiencies: iPPI-DB biplot LE versus LLE
Summary
Bibliographic ressources Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 3 0 0 0
Pharmacological data
Bibliography Name Target Competition Assay type Assay name Cell line Activity type Activity
10.1016/j.bmc.2009.11.025 2 TTHY
P02766
Biochemical assay Fluorescence Polarization WT TTR pKd (dissociation constant, -log10) 4.19
10.1016/j.bmc.2009.11.025 2 TTHY
P02766
Biochemical assay Fluorescence Polarization V30M TTR pKd (dissociation constant, -log10) 4.07
10.1016/j.bmc.2009.11.025 2 TTHY
P02766
Biochemical assay Fluorescence Polarization T119M TTR pKd (dissociation constant, -log10) 4.03
Ta Structure Name Drugbank ID
1.0000 1-Naphthylamine-5-sulfonic acid DB07176
0.8919 5-aminonaphthalene-2-sulfonic acid DB08238
0.8571 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID) DB07376
0.7857 5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACID DB07684
0.7500 Naphthalene-2,6-disulfonic acid DB04640
0.7500 2-Naphthalenesulfonic acid DB08254
0.6944 Benzenesulfinic acid DB03848
0.6346 8-anilinonaphthalene-1-sulfonic acid DB04474
0.6279 Naphthalene Trisulfonate DB04409
0.6136 Sulfanilamide DB00259
0.5870 Dapsone DB00250
0.5778 p-Toluenesulfonic acid DB03120
0.5778 Phenolsulfonic acid DB14739
0.5652 Para-Mercury-Benzenesulfonic Acid DB02983
0.5600 Dansylamide DB02866