| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2008 | 15 | Yes |
Popular Name: 5-(2-thienyl)thieno[2,3-d]pyrimidin-4(3H)-one 5-(2-thienyl)thieno[2,3-d]pyrimi…
5-(2-thienyl)-3,4-dihydrothieno[2,3-d]pyrimidin-4-one
5-(2-Thienyl)thieno[2,3-d]pyrimidin-4(3H)-one, 97%
5-thien-2-ylthieno[2,3-d]pyrimidin-4(3H)-one
| 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) | 2.25 | 5.36 | -13.8 | 1 | 3 | 0 | 46 | 234.305 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 3.5 | -43.12 | 0 | 3 | -1 | 49 | 233.297 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1-1-E | Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3162 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 3162.27766 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| G2/M DNA damage checkpoint | |
| Signaling by SCF-KIT | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A |
