| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 36 | Yes |
Popular Name: NVP-BSK805 2HCl NVP-BSK805 2HCl
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1092499-93-8 , 1092499-93-8 (free base) , [1092499-93-8]
8-(3,5-difluoro-4-(morpholinomethyl)phenyl)-2-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)quinoxaline
| 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) | 3.19 | 8.12 | -58.59 | 2 | 7 | 1 | 73 | 491.566 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 10.39 | -92.42 | 3 | 7 | 2 | 74 | 492.574 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | JAK | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 80 | 0.28 | Binding ≤ 10μM |
| JAK1-1-E | Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 303 | 0.25 | Binding ≤ 10μM |
| JAK2-1-E | Tyrosine-protein Kinase JAK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7 | 0.32 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 610 | 0.24 | Binding ≤ 10μM |
| TYK2-1-E | Tyrosine-protein Kinase TYK2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 384 | 0.25 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 80 | 0.28 | Binding ≤ 1μM |
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 303 | 0.25 | Binding ≤ 1μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 7.3 | 0.32 | Binding ≤ 1μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 610 | 0.24 | Binding ≤ 1μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 384 | 0.25 | Binding ≤ 1μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 80 | 0.28 | Binding ≤ 10μM |
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 303 | 0.25 | Binding ≤ 10μM |
| JAK2_HUMAN | O60674 | Tyrosine-protein Kinase JAK2, Human | 7.3 | 0.32 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 610 | 0.24 | Binding ≤ 10μM |
| TYK2_HUMAN | P29597 | Tyrosine-protein Kinase TYK2, Human | 384 | 0.25 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CDO in myogenesis | |
| 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 actin dynamics for phagocytic cup formation | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling | |
| RMTs methylate histone arginines | |
| Role of Abl in Robo-Slit signaling | |
| Signaling by Leptin | |
| Signaling by SCF-KIT |
No pre-computed analogs available. Try a structural similarity search.