| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 29 | Yes |
Popular Name: 5-[4-[[(4-methoxyphenyl)methylamino]methyl]phenyl]-2-ureido-thiophene-3-carboxamide 5-[4-[[(4-methoxyphenyl)methylam…
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) | 2.54 | 3.49 | -58.58 | 7 | 7 | 1 | 124 | 411.507 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 2.13 | -13.46 | 6 | 7 | 0 | 119 | 410.499 | 8 | ↓ |
| 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 | 29 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 29 | 0.36 | Binding ≤ 1μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 29 | 0.36 | 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 |
