| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2008 | 30 | Yes |
| 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) | 3.57 | 7.64 | -51.56 | 5 | 6 | 1 | 94 | 398.49 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 7.35 | -12.1 | 4 | 6 | 0 | 93 | 397.482 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.57 | 7.9 | -115.59 | 6 | 6 | 2 | 95 | 399.498 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.72e-03 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AKT1-2-E | RAC-alpha Serine/threonine-protein Kinase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| AKT2-2-E | Serine/threonine-protein Kinase AKT2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 30 | 0.35 | Binding ≤ 10μM |
| AKT3-2-E | Serine/threonine-protein Kinase AKT3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 51 | 0.34 | Binding ≤ 10μM |
| Z80800-1-O | MIA PaCa-2 (Pancreatic Carcinoma Cells) (cluster #1 Of 2), Other | Other | 100 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 0.16 | 0.46 | Binding ≤ 1μM |
| AKT2_HUMAN | P31751 | Serine/threonine-protein Kinase AKT2, Human | 30 | 0.35 | Binding ≤ 1μM |
| AKT3_HUMAN | Q9Y243 | Serine/threonine-protein Kinase AKT3, Human | 51 | 0.34 | Binding ≤ 1μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 0.16 | 0.46 | Binding ≤ 10μM |
| AKT2_HUMAN | P31751 | Serine/threonine-protein Kinase AKT2, Human | 30 | 0.35 | Binding ≤ 10μM |
| AKT3_HUMAN | Q9Y243 | Serine/threonine-protein Kinase AKT3, Human | 51 | 0.34 | Binding ≤ 10μM |
| Z80800 | Z80800 | MIA PaCa-2 (Pancreatic Carcinoma Cells) | 100 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of BAD and translocation to mitochondria | |
| Activation of PKB | |
| AKT phosphorylates targets in the cytosol | |
| AKT phosphorylates targets in the nucleus | |
| AKT-mediated inactivation of FOXO1A | |
| Butyrate Response Factor 1 (BRF1) destabilizes mRNA | |
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| deactivation of the beta-catenin transactivating complex | |
| Downregulation of ERBB2:ERBB3 signaling | |
| eNOS activation | |
| G beta:gamma signalling through PI3Kgamma | |
| GPVI-mediated activation cascade | |
| Inhibition of TSC complex formation by PKB | |
| Integrin alphaIIb beta3 signaling | |
| KSRP destabilizes mRNA | |
| Negative regulation of the PI3K/AKT network | |
| PDE3B signalling | |
| PIP3 activates AKT signaling | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| Translocation of GLUT4 to the plasma membrane | |
| VEGFR2 mediated vascular permeability |
No pre-computed analogs available. Try a structural similarity search.