| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 37 | Yes |
Popular Name: TG101348 TG101348
Find On: PubMed — Wikipedia — Google
CAS Numbers: 936091-26-8 , [936091-26-8]
| 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) | 5.59 | 12.57 | -44.15 | 4 | 9 | 1 | 110 | 525.699 | 11 | ↓ |
| Hi High (pH 8-9.5) | 9.12 | 20.35 | -8.94 | 0 | 3 | 0 | 43 | 490.728 | 13 | ↓ |
| Hi High (pH 8-9.5) | 5.59 | 10.08 | -13.27 | 3 | 9 | 0 | 108 | 524.691 | 11 | ↓ |
| Mid Mid (pH 6-8) | 5.59 | 12.68 | -85.44 | 5 | 9 | 2 | 111 | 526.707 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | JAK | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK1-1-E | Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 100 | 0.26 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.32 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.23 | Binding ≤ 10μM |
| TYK2-1-E | Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 150 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 100 | 0.26 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 3 | 0.32 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 1000 | 0.23 | Binding ≤ 1μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 150 | 0.26 | Binding ≤ 1μM |
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 100 | 0.26 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 3 | 0.32 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 1000 | 0.23 | Binding ≤ 10μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 150 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Factors involved in megakaryocyte development and platelet production | |
| Growth hormone receptor signaling | |
| Interferon alpha/beta signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| Interleukin-6 signaling | |
| Interleukin-7 signaling | |
| ISG15 antiviral mechanism | |
| Prolactin receptor signaling | |
| Regulation of IFNA 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.