| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2010 | 31 | No |
Popular Name: N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide N-(Cyanomethyl)-4-(2-((4-morphol…
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CAS Numbers: 1056634-68-4 , 1056636-06-6 , [1056634-68-4]
| 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) | 2.92 | 9.41 | -16.37 | 2 | 8 | 0 | 103 | 414.469 | 6 | ↓ |
| 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 | 11 | 0.36 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 18 | 0.35 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 155 | 0.31 | Binding ≤ 10μM |
| Z80036-1-O | BaF3 (IL-3-dependent Pro-B-cells) (cluster #1 Of 3), Other | Other | 798 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 11 | 0.36 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 18 | 0.35 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 155 | 0.31 | Binding ≤ 1μM |
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 11 | 0.36 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 18 | 0.35 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 155 | 0.31 | Binding ≤ 10μM |
| Z80036 | Z80036 | BaF3 (IL-3-dependent Pro-B-cells) | 1430 | 0.26 | Functional ≤ 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.