| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 31 | Yes |
Popular Name: (R)-2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluorochroman-4-yl)-7H-purin-8(9H)-one (R)-2-(6-Fluoro-1H-benzo[d]imida…
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CAS Number: N/A
| 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) | 3.09 | 12.9 | -15.3 | 1 | 8 | 0 | 91 | 420.379 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.09 | 13.38 | -47.07 | 2 | 8 | 1 | 92 | 421.387 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 26 | 0.34 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 26 | 0.34 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 3 | 0.38 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 26 | 0.34 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 3 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Factors involved in megakaryocyte development and platelet production | |
| Growth hormone receptor signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Interleukin-7 signaling | |
| Prolactin receptor signaling | |
| Regulation of IFNG signaling | |
| RMTs methylate histone arginines | |
| Signaling by Leptin | |
| Signaling by SCF-KIT |
No pre-computed analogs available. Try a structural similarity search.