Compound Detail
CHEMBL2035187
PACRITINIB 💊 Approved Drug
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💊 Approved Drug
C1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C/COCc3cccc(c3)C(=C1)N2
Basic Information
| ChEMBL ID | CHEMBL2035187 |
| Name | PACRITINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HWXVIOGONBBTBY-ONEGZZNKSA-N |
| Therapeutic | ✓ Yes |
84
Targets
198
Activities
3
Assay Types
22
PK Parameters
20
Publications
4
Known Names
19
Indications
2
Mechanisms
Molecular Properties
472.6
MW (Da)
4.47
ALogP
7
HBA
1
HBD
67.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2022 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 inhibitor | INHIBITOR | Tyrosine-protein kinase JAK2 | ✓ | ✓ |
| Tyrosine-protein kinase receptor FLT3 inhibitor | INHIBITOR | Receptor-type tyrosine-protein kinase FLT3 | ✓ | ✓ |
Indications
Neoplasms Colorectal Neoplasms Hodgkin Disease Leukemia Leukemia, Myeloid, Acute Lymphoma Lymphoma, Mantle-Cell Myeloproliferative Disorders Primary Myelofibrosis Primary Myelofibrosis Prostatic Neoplasms, Castration-Resistant Severe Acute Respiratory Syndrome Breast Neoplasms Carcinoma, Non-Small-Cell Lung Graft vs Host Disease Leukemia, Lymphocytic, Chronic, B-Cell Leukemia, Myelomonocytic, Chronic Liver Diseases Myelodysplastic Syndromes
ATC Classification
L01EJ03
pacritinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 143 meas. best 9.0
Kd 50 meas. best 8.52
EC50 5 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.0 | 7.7214 | 1.0 | 14 |
| Serine/threonine-protein kinase STK11 CHEMBL5606 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.22 | 7.6381 | 6.0 | 21 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Kd | 8.18 | 8.115 | 6.6 | 2 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.74 | 6.5214 | 18.3 | 7 |
| Activin receptor type-1 CHEMBL5903 | Kd | 7.66 | 7.66 | 22.0 | 1 |
| AarF domain-containing protein kinase 1 CHEMBL4105885 | Kd | 7.48 | 7.48 | 33.0 | 1 |
| Interleukin-1 receptor-associated kinase 3 CHEMBL5081 | Kd | 7.46 | 7.46 | 35.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Kd | 7.42 | 7.16 | 38.0 | 2 |
| BMP-2-inducible protein kinase CHEMBL4522 | Kd | 7.41 | 7.41 | 39.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.4 | 7.4 | 39.5 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 7.4 | 7.4 | 39.5 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Kd | 7.39 | 7.39 | 41.0 | 1 |
| AP2-associated protein kinase 1 CHEMBL3830 | Kd | 7.38 | 7.38 | 42.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.33 | 7.2767 | 47.0 | 3 |
| MOLM-13 CHEMBL3706572 | IC50 | 7.33 | 7.114 | 47.0 | 5 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 7.3 | 7.1283 | 50.0 | 6 |
| Uncharacterized protein FLJ45252 CHEMBL4105933 | Kd | 7.28 | 7.28 | 52.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.2 | 6.4326 | 63.0 | 19 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.1 | 5.9825 | 79.0 | 20 |
| MOLM-14 CHEMBL3706570 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
| TRAF2 and NCK-interacting protein kinase CHEMBL4527 | Kd | 7.05 | 7.05 | 89.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 6.88 | 6.618 | 133.0 | 5 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | Kd | 6.86 | 6.86 | 138.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | Kd | 6.8 | 6.8 | 160.0 | 1 |
| SET-2 CHEMBL4523566 | IC50 | 6.66 | 6.4533 | 217.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.65 | 6.65 | 224.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Kd | 6.64 | 6.64 | 228.0 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | Kd | 6.59 | 6.59 | 258.0 | 1 |
| Serine/threonine-protein kinase ICK CHEMBL1163126 | Kd | 6.57 | 6.57 | 270.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Kd | 6.53 | 6.53 | 293.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Kd | 6.5 | 6.5 | 318.0 | 1 |
| Karpas-1106P CHEMBL4523591 | IC50 | 6.46 | 6.46 | 348.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.43 | 5.98 | 371.0 | 6 |
| Casein kinase II subunit alpha' CHEMBL4070 | Kd | 6.41 | 6.41 | 394.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 6.28 | 6.015 | 520.0 | 2 |
| SET-2 CHEMBL4523566 | EC50 | 6.24 | 6.24 | 571.0 | 1 |
| Aurora kinase B CHEMBL2185 | Kd | 6.19 | 6.19 | 641.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.18 | 6.18 | 664.0 | 1 |
| Cyclin-G-associated kinase CHEMBL4355 | Kd | 6.17 | 6.17 | 674.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 6.17 | 6.17 | 673.0 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529 | Kd | 6.15 | 6.15 | 715.0 | 1 |
| KMS-12-BM CHEMBL4296455 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Jurkat E6.1 CHEMBL4296446 | IC50 | 6.08 | 6.08 | 839.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.07 | 6.07 | 853.0 | 1 |
| Non-receptor tyrosine-protein kinase TNK1 CHEMBL5334 | Kd | 6.05 | 6.05 | 888.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 6.04 | 6.04 | 917.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 53.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 599.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 399.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 220.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 24.33 | nM | Canis lupus familiaris |
| Cmax | 241.22 | nM | Rattus norvegicus |
| Cmax | 617.87 | nM | Mus musculus |
| F | 10.0 | % | Rattus norvegicus |
| F | 24.0 | % | Canis lupus familiaris |
| F | 39.0 | % | Mus musculus |
| T1/2 | 0.3 | hr | Rattus norvegicus |
| T1/2 | 0.6833 | hr | Canis lupus familiaris |
| T1/2 | 0.3667 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 3.4 | hr | Canis lupus familiaris |
| T1/2 | 5.7 | hr | Rattus norvegicus |
| T1/2 | 0.84 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 0.3667 | hr | Mus musculus |
| Tmax | 2.0 | hr | Canis lupus familiaris |
| Tmax | 4.0 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22829080 | 10.1038/bcj.2011.43 | MV4-11 | 27 |
| 21691275 | 10.1038/leu.2011.148 | Tyrosine-protein kinase JAK2 | 25 |
| 27541357 | 10.1021/acs.jmedchem.6b00157 | NON-PROTEIN TARGET | 20 |
| 21691275 | 10.1038/leu.2011.148 | Unchecked | 19 |
| 22829080 | 10.1038/bcj.2011.43 | Unchecked | 17 |
| 22829080 | 10.1038/bcj.2011.43 | Receptor-type tyrosine-protein kinase FLT3 | 16 |
| 22829080 | 10.1038/bcj.2011.43 | MOLM-13 | 11 |
| 21691275 | 10.1038/leu.2011.148 | ADMET | 11 |
| 21604762 | 10.1021/jm200326p | Mus musculus | 8 |
| 38843875 | 10.1021/acs.jmedchem.4c00197 | Tyrosine-protein kinase JAK2 | 7 |
| 38843875 | 10.1021/acs.jmedchem.4c00197 | Unchecked | 7 |
| 21691275 | 10.1038/leu.2011.148 | SET-2 | 7 |
| 21604762 | 10.1021/jm200326p | MV4-11 | 5 |
| 21604762 | 10.1021/jm200326p | Canis familiaris | 5 |
| 21604762 | 10.1021/jm200326p | Rattus norvegicus | 5 |
| 29191878 | 10.1126/science.aan4368 | Unchecked | 5 |
| 21691275 | 10.1038/leu.2011.148 | Karpas-1106P | 5 |
| 38389874 | 10.1039/d3md00457k | Unchecked | 4 |
| 38389874 | 10.1039/d3md00457k | ADMET | 4 |
| 28953386 | 10.1021/acs.jmedchem.7b00678 | Unchecked | 4 |
Data from ChEMBL 36 via Core Engine