| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 28 | No |
Popular Name: 1-[4-[[2-amino-6-(5-bromo-2-ethoxy-phenyl)pyrimidin-4-yl]amino]phenyl]ethanone 1-[4-[[2-amino-6-(5-bromo-2-etho…
| 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) | 4.96 | 9.23 | -11.14 | 4 | 7 | 0 | 106 | 442.317 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.96 | 9.43 | -31.49 | 5 | 7 | 1 | 107 | 443.325 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLCB-1-E | 1-acylglycerol-3-phosphate O-acyltransferase Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 84 | 0.35 | Binding ≤ 10μM |
| Z80125-1-O | DU-145 (Prostate Carcinoma) (cluster #1 Of 9), Other | Other | 50 | 0.37 | Functional ≤ 10μM |
| Z80186-6-O | K562 (Erythroleukemia Cells) (cluster #6 Of 11), Other | Other | 50 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLCB_HUMAN | O15120 | 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human | 84 | 0.35 | Binding ≤ 1μM |
| PLCB_HUMAN | O15120 | 1-acylglycerol-3-phosphate O-acyltransferase Beta, Human | 84 | 0.35 | Binding ≤ 10μM |
| Z80125 | Z80125 | DU-145 (Prostate Carcinoma) | 50 | 0.37 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 50 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of PA | |
| Triglyceride Biosynthesis |
