Molecule Details
| InChIKey | HFNKQEVNSGCOJV-OAHLLOKOSA-N |
|---|---|
| Compound Name | Ruxolitinib |
| Canonical SMILES | N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 65 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08877 |
|---|---|
| Drug Name | Ruxolitinib |
| CAS Number | 941678-49-5 |
| Groups | approved investigational |
| ATC Codes | D11AH09 L01EJ01 |
| Description | Ruxolitinib, formerly known as INCB018424 or INC424, is an anticancer drug and a Janus kinase (JAK) inhibitor. It is a potent and selective inhibitor of JAK1 and JAK2,[A229698] which are tyrosine kinases involved in cytokine signalling and hematopoiesis.[A7450] Myeloproliferative neoplasms, such as ... |
Categories: Agents for Dermatitis, Excluding Corticosteroids Antineoplastic Agents Antineoplastic and Immunomodulating Agents Cancer immunotherapy Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2C9 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Substrates Dermatologicals Drugs that are Mainly Renally Excreted Immunosuppressive Agents Immunotherapy Janus Kinase Inhibitor Janus Kinases, antagonists & inhibitors Kinase Inhibitor Myelosuppressive Agents Narrow Therapeutic Index Drugs Protein Kinase Inhibitors Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 50649917 ChEBI: 66919 CHEMBL1789941 ChemSpider: 25027389 Drugs Product Database (DPD): 21376 D09959 PDB: RXT PharmGKB: PA166123386 PubChem:25126798 PubChem:175427129 RxCUI: 1193326 Wikipedia: Ruxolitinib ZINC: ZINC000043207851
Target Activities (65)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.6 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.8 | IC50 | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9Y2U5 | MAP3K2 | Homo sapiens | Human | PF00564 PF00069 | 7.4 | Kd | ChEMBL;BindingDB |
| Q9UQM7 | CAMK2A | Homo sapiens | Human | PF08332 PF00069 | 7.3 | Kd | ChEMBL;BindingDB |
| O75116 | ROCK2 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.3 | Kd | ChEMBL;BindingDB |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.2 | Kd | ChEMBL;BindingDB |
| O15075 | DCLK1 | Homo sapiens | Human | PF03607 PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| P53355 | DAPK1 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00531 PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q9UIK4 | DAPK2 | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 7.0 | Kd | ChEMBL;BindingDB |
| Q13555 | CAMK2G | Homo sapiens | Human | PF08332 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 6.9 | Kd | ChEMBL;BindingDB |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| Q8IU85 | CAMK1D | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL;BindingDB |
| P53350 | PLK1 | Homo sapiens | Human | PF00069 PF00659 | 6.9 | Kd | ChEMBL;BindingDB |
| O75582 | RPS6KA5 | Homo sapiens | Human | PF00069 PF00433 | 6.8 | Kd | ChEMBL;BindingDB |
| Q15349 | RPS6KA2 | Homo sapiens | Human | PF00069 PF00433 | 6.8 | Kd | ChEMBL;BindingDB |
| Q99759 | MAP3K3 | Homo sapiens | Human | PF00564 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| Q9UK32 | RPS6KA6 | Homo sapiens | Human | PF00069 PF00433 | 6.8 | Kd | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.8 | Kd | ChEMBL;BindingDB |
| Q8IYT8 | ULK2 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q16566 | CAMK4 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| Q6ZSR9 | Homo sapiens | Human | PF15282 | 6.7 | Kd | ChEMBL | |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.7 | Kd | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9C098 | DCLK3 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| O75385 | ULK1 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q13554 | CAMK2B | Homo sapiens | Human | PF08332 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9UL54 | TAOK2 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.5 | Kd | ChEMBL;BindingDB |
| O75676 | RPS6KA4 | Homo sapiens | Human | PF00069 PF00433 | 6.5 | Kd | ChEMBL;BindingDB |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.4 | Kd | ChEMBL;BindingDB |
| Q8NFD2 | ANKK1 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF07714 | 6.4 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.4 | Kd | ChEMBL;BindingDB |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.4 | Kd | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P46734 | MAP2K3 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q14012 | CAMK1 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9Y2H9 | MAST1 | Homo sapiens | Human | PF08926 PF17820 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q8WTQ7 | GRK7 | Homo sapiens | Human | PF00069 PF00615 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9H2K8 | TAOK3 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.2 | Kd | ChEMBL;BindingDB |
| Q13237 | PRKG2 | Homo sapiens | Human | PF00027 PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9H4B4 | PLK3 | Homo sapiens | Human | PF00069 PF00659 | 6.2 | Kd | ChEMBL;BindingDB |
| O43318 | MAP3K7 | Homo sapiens | Human | PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| Q15835 | GRK1 | Homo sapiens | Human | PF00069 PF00615 | 6.1 | Kd | ChEMBL;BindingDB |
| Q8N568 | DCLK2 | Homo sapiens | Human | PF03607 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9HCP0 | CSNK1G1 | Homo sapiens | Human | PF12605 PF00069 | 6.1 | Kd | ChEMBL |
| Q13627 | DYRK1A | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q13873 | BMPR2 | Homo sapiens | Human | PF01064 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| P15735 | PHKG2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9H2X6 | HIPK2 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| O60674 | JAK2 | Tyrosine-protein kinase JAK2 | inhibitor | targets |
| P23458 | JAK1 | Tyrosine-protein kinase JAK1 | inhibitor | targets |
| P29597 | TYK2 | Non-receptor tyrosine-protein kinase TYK2 | inhibitor | targets |
| P52333 | JAK3 | Tyrosine-protein kinase JAK3 | inhibitor | targets |
| Q03405 | PLAUR | Urokinase plasminogen activator surface receptor | inhibitor | targets |