| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2009 | 25 | Yes |
Popular Name: 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one 2-(4-chlorophenyl)-4-[(5-methyl-…
None
| 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) | 4.04 | 9.77 | -13.11 | 2 | 6 | 0 | 76 | 351.797 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-3-E | Serine/threonine-protein Kinase Aurora-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 93 | 0.39 | Binding ≤ 10μM |
| KSYK-1-E | Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1186 | 0.33 | Binding ≤ 10μM |
| Z80928-3-O | HCT-116 (Colon Carcinoma Cells) (cluster #3 Of 9), Other | Other | 820 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 93 | 0.39 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 93 | 0.39 | Binding ≤ 10μM |
| KSYK_HUMAN | P43405 | Tyrosine-protein Kinase SYK, Human | 1186 | 0.33 | Binding ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 820 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| DAP12 signaling | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCGR activation | |
| GPVI-mediated activation cascade | |
| Integrin alphaIIb beta3 signaling | |
| Interleukin-2 signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis |
