PACRITINIB

Search structure
Synonyms:
Status: Approved (2022)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G22N65IL3O

Structure
InChI Key HWXVIOGONBBTBY-ONEGZZNKSA-N
Smile C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1
InChI
InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H32N4O3
Molecular Weight 472.59
AlogP 4.96
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 68.74
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase JAK2 inhibitor PubMed PubMed PubMed Other
Primary Target
Janus kinase 2
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 20
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 20
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 3900 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 1-23 - - 92
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 1-23 - - 92
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 6-23 - - 83-96
Other cytosolic protein
- 3900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Primary Myelofibrosis 2 D055728 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Primary Myelofibrosis 2 D055728 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Myeloproliferative Disorders 2 D009196 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Graft vs Host Disease 1 D006086 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 937272-79-2
ChEMBL CHEMBL2035187
DrugBank DB11697
FDA SRS G22N65IL3O
Guide to Pharmacology 7793
PDB 6T3
PubChem 46216796
SureChEMBL SCHEMBL1108221
ZINC ZINC000043153645
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