iPPI-DB

Inhibitors of Protein-Protein Interaction Database

Compound 9

Identifiers

  • Canonical SMILES:
    C[C@H](N)C(=O)Nc1ccc2c(C)cc(C)nc2n1
  • IUPAC name:
    (2S)-2-amino-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)propanamide
  • InChi:
    InChI=1S/C13H16N4O/c1-7-6-8(2)15-12-10(7)4-5-11(16-12)17-13(18)9(3)14/h4-6,9H,14H2,1-3H3,(H,15,16,17,18)/t9-/m0/s1
  • InChiKey:
    NEVIWLQURZYMJU-VIFPVBQESA-N

External links


23646344

CHEMBL180851

23246988

External search

Bibliography (1)

Publication Name
Park CM, Sun C, Olejniczak ET, Wilson AE, Meadows RP, Betz SF, Elmore SW, Fesik SW. . Non-peptidic small molecule inhibitors of XIAP. Bioorganic & medicinal chemistry letters. 8

Pharmacological data

Biochemical tests Cellular tests PK tests Cytotoxicity tests
1 0 0 0

Targets

PPI family Best activity Diseases MMoA
XIAP / Smac 4.70 cancer Inhibition
Physicochemical filters
Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 244.13 g/mol
HBA 5
HBD 3
HBA + HBD 8
AlogP 1.36
TPSA 80.90
RB 2
Radar chart
PCA : iPPI-DB chemical space
PCA : Correlation circle