| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 20 | Yes |
Popular Name: (5R)-2-amino-5-cyclohexyl-3-methyl-5-phenyl-imidazol-4-one (5R)-2-amino-5-cyclohexyl-3-meth…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.92 | 9.21 | -37.26 | 3 | 4 | 1 | 58 | 272.372 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.92 | 9.24 | -5.4 | 2 | 4 | 0 | 56 | 271.364 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A4-4-E | Beta Amyloid A4 Protein (cluster #4 Of 5), Eukaryotic | Eukaryotes | 810 | 0.43 | Binding ≤ 10μM |
| BACE1-1-E | Beta-secretase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 991 | 0.42 | Binding ≤ 10μM |
| BACE2-1-E | Beta Secretase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 510 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A4_HUMAN | P05067 | Beta Amyloid A4 Protein, Human | 810 | 0.43 | Binding ≤ 1μM |
| BACE2_HUMAN | Q9Y5Z0 | Beta Secretase 2, Human | 510 | 0.44 | Binding ≤ 1μM |
| BACE1_HUMAN | P56817 | Beta-secretase 1, Human | 990 | 0.42 | Binding ≤ 1μM |
| A4_HUMAN | P05067 | Beta Amyloid A4 Protein, Human | 810 | 0.43 | Binding ≤ 10μM |
| BACE2_HUMAN | Q9Y5Z0 | Beta Secretase 2, Human | 510 | 0.44 | Binding ≤ 10μM |
| BACE1_HUMAN | P56817 | Beta-secretase 1, Human | 990 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Advanced glycosylation endproduct receptor signaling | |
| Amyloids | |
| DEx/H-box helicases activate type I IFN and inflammatory cytokines production | |
| ECM proteoglycans | |
| Formyl peptide receptors bind formyl peptides and many other ligands | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Platelet degranulation | |
| RIP-mediated NFkB activation via ZBP1 | |
| TAK1 activates NFkB by phosphorylation and activation of IKKs complex | |
| The NLRP3 inflammasome | |
| TRAF6 mediated NF-kB activation |
