| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 28 | Yes |
Popular Name: (2R)-2-amino-3-(4-fluorophenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one (2R)-2-amino-3-(4-fluorophenyl)-…
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) | 1.81 | 9.04 | -55.52 | 3 | 6 | 1 | 77 | 380.447 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.81 | 8.75 | -12.82 | 2 | 6 | 0 | 75 | 379.439 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.81 | 9.48 | -101.17 | 4 | 6 | 2 | 78 | 381.455 | 4 | ↓ |
| 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 | 118 | 0.35 | Binding ≤ 10μM |
| AKT2-2-E | Serine/threonine-protein Kinase AKT2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1288 | 0.29 | Binding ≤ 10μM |
| AKT3-2-E | Serine/threonine-protein Kinase AKT3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1122 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 118 | 0.35 | Binding ≤ 1μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 118 | 0.35 | Binding ≤ 10μM |
| AKT2_HUMAN | P31751 | Serine/threonine-protein Kinase AKT2, Human | 1288 | 0.29 | Binding ≤ 10μM |
| AKT3_HUMAN | Q9Y243 | Serine/threonine-protein Kinase AKT3, Human | 1122 | 0.30 | Binding ≤ 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.
