| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 22nd, 2006 | 26 | Yes |
Popular Name: 1-[5-chloro-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-3-(5-cyanopyrazin-2-yl)-urea 1-[5-chloro-2-[(3-methyloxetan-3…
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) | 2.68 | -1.95 | -16.5 | 2 | 8 | 0 | 109 | 373.8 | 5 | ↓ |
| 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 | 9210 | 0.27 | Binding ≤ 10μM |
| CHK1-1-E | Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.44 | Binding ≤ 10μM |
| CHK2-1-E | Serine/threonine-protein Kinase Chk2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.44 | Binding ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 2600 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 7 | 0.44 | Binding ≤ 1μM |
| CHK2_HUMAN | O96017 | Serine/threonine-protein Kinase Chk2, Human | 7 | 0.44 | Binding ≤ 1μM |
| AKT1_HUMAN | P31749 | Serine/threonine-protein Kinase AKT, Human | 9210 | 0.27 | Binding ≤ 10μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 7 | 0.44 | Binding ≤ 10μM |
| CHK2_HUMAN | O96017 | Serine/threonine-protein Kinase Chk2, Human | 7 | 0.44 | Binding ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 2600 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of BAD and translocation to mitochondria | |
| 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 | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| 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 | |
| G2/M DNA damage checkpoint | |
| GPVI-mediated activation cascade | |
| Integrin alphaIIb beta3 signaling | |
| KSRP destabilizes mRNA | |
| Negative regulation of the PI3K/AKT network | |
| PIP3 activates AKT signaling | |
| Signaling by SCF-KIT | |
| Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |
| Translocation of GLUT4 to the plasma membrane | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A | |
| VEGFR2 mediated vascular permeability |
