Molecule Details
| InChIKey | HWXVIOGONBBTBY-ONEGZZNKSA-N |
|---|---|
| Compound Name | Pacritinib |
| Canonical SMILES | C1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C/COCc3cccc(c3)C(=C1)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 27 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11697 |
|---|---|
| Drug Name | Pacritinib |
| CAS Number | 937272-79-2 |
| Groups | approved investigational |
| ATC Codes | L01EJ03 |
| Description | Myelofibrosis (MF) is a rare disorder characterized by hematopoietic abnormalities and fibrosis within the bone marrow.[L40793] The underlying cause of primary MF is unknown, but secondary MF can arise in patients with a history of polycythemia vera or essential thrombocythemia.[L40793] While some p... |
Categories: Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP1A2 Inducers Cytochrome P-450 CYP1A2 Inducers (strength unknown) Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Janus Kinase 2, antagonists & inhibitors Janus Kinase Inhibitor Janus Kinases, antagonists & inhibitors Kinase Inhibitor OCT1 inhibitors OCT2 Inhibitors P-glycoprotein inhibitors Potential QTc-Prolonging Agents Protein Kinase Inhibitors QTc Prolonging Agents Tyrosine Kinase Inhibitors fms-Like Tyrosine Kinase 3, antagonists & inhibitors
Cross-references: BindingDB: 50210177 CHEMBL2035187 ChemSpider: 28518965 PDB: 6T3 PubChem:46216796 PubChem:347828062 RxCUI: 2595243 Wikipedia: Pacritinib ZINC: ZINC000043153645
Target Activities (27)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15831 | STK11 | Homo sapiens | Human | PF00069 | 8.5 | Kd | ChEMBL |
| P16083 | NQO2 | Homo sapiens | Human | PF02525 | 8.4 | Kd | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 7.7 | Kd | ChEMBL |
| Q86TW2 | ADCK1 | Homo sapiens | Human | PF03109 | 7.5 | Kd | ChEMBL |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 7.5 | Kd | ChEMBL |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 7.4 | Kd | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 7.4 | IC50 | ChEMBL;BindingDB |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.3 | IC50 | ChEMBL |
| Q6ZSR9 | Homo sapiens | Human | PF15282 | 7.3 | Kd | ChEMBL | |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Kd | ChEMBL |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.9 | Kd | ChEMBL |
| Q92918 | MAP4K1 | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Kd | ChEMBL |
| Q9UPZ9 | CILK1 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.5 | Kd | ChEMBL |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.5 | IC50 | ChEMBL |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.2 | Kd | ChEMBL |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.2 | Kd | ChEMBL |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 6.0 | Kd | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.0 | Kd | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| O60674 | JAK2 | Tyrosine-protein kinase JAK2 | inhibitor | targets |
| P36888 | FLT3 | Receptor-type tyrosine-protein kinase FLT3 | inhibitor | targets |
| P52333 | JAK3 | Tyrosine-protein kinase JAK3 | modulator | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |