(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

  • Description:
  • Formula: C28H32N4O3
  • Molar mass: 472.6 g mol-1
  • InChI Key: HWXVIOGONBBTBY-ONEGZZNKSA-N
(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

Identifiers (20)

  • Standard 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+ (Source: PubChem)
  • IUPAC Name: (16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene (Source: PubChem)
  • PubChem CID: 46216796 (Source: PubChem)
  • SMILES String: C1CCN(C1)CCOC2=C3COC/C=C/COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2 (Source: PubChem)
  • ChEMBL ID: CHEMBL2035187 (Source: PubChem)
  • CAS Registry Number: 937272-79-2 (Source: PubChem)
  • Connectivity SMILES string: C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2 (Source: PubChem)
  • Standard InChIKey: HWXVIOGONBBTBY-ONEGZZNKSA-N (Source: PubChem)
  • ChEBI ID: CHEBI:231350 (Source: PubChem)
  • CompTox Dashboard Compound ID: DTXCID201527601 (Source: PubChem)
  • CompTox Dashboard Substance ID: DTXSID801045679 (Source: PubChem)
  • Wikidata ID: Q3888693 (Source: PubChem)
  • WHO ATC Classification Drug Code: L01EJ03 (Source: ChEMBL)
  • WHO ATC Classification Drug Name: Pacritinib (Source: ChEMBL)
  • Connectivity SMILES string: C1=N/C2=N/c3ccc(OCCN4CCCC4)c(c3)COC/C=C/COCc3cccc(c3)C(=C1)N2 (Source: ChEMBL)
  • International Nonproprietary Name: Pacritinib (Source: ChEMBL)
  • Preferred Name: PACRITINIB (Source: ChEMBL)
  • Standard 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+ (Source: ChEMBL)
  • Standard InChIKey: HWXVIOGONBBTBY-ONEGZZNKSA-N (Source: ChEMBL)
  • US Adopted Name: Pacritinib (Source: ChEMBL)

    • Sources: PubChem (12) ChEMBL (8)

    Data (31)

  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Thermodynamic parameters: 3.8 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Mass parameters: 472.24744090 Da (Source: PubChem)
  • Molecule statistics: 35 (Source: PubChem)
  • Molecule statistics: 7 (Source: PubChem)
  • Molecule statistics: 1 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Surface parameters: 0 (Source: PubChem)
  • Stuctural analysis: 644 (Source: PubChem)
  • Stuctural analysis: 375.5 (Source: PubChem)
  • Mass parameters: 472.6 g/mol (Source: PubChem)
  • Mass parameters: 472.24744090 Da (Source: PubChem)
  • Molecule statistics: 4 (Source: PubChem)
  • Surface parameters: 68.7 Ų (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Molecule statistics: 0 (Source: PubChem)
  • Thermodynamic parameters: 2 (Source: ChEMBL)
  • Thermodynamic parameters: 4.47 (Source: ChEMBL)
  • Molecule statistics: 35 (Source: ChEMBL)
  • Molecule statistics: 7 (Source: ChEMBL)
  • Molecule statistics: 1 (Source: ChEMBL)
  • Mass parameters: 472.59 g/mol (Source: ChEMBL)
  • Mass parameters: 472.59 g/mol (Source: ChEMBL)
  • Molecule statistics: 0.11 (Source: ChEMBL)
  • Molecule statistics: 67.68 (Source: ChEMBL)
  • Molecule statistics: 0.67 (Source: ChEMBL)
  • Molecule statistics: 4 (Source: ChEMBL)

    • Sources: PubChem (20) ChEMBL (11)

    Information (8)

  • Chemical formula: C28H32N4O3 (Source: PubChem)
  • Chirality: 2 (Source: ChEMBL)
  • Chemical formula: C28H32N4O3 (Source: ChEMBL)
  • Molecule type: Small molecule (Source: ChEMBL)
  • Natural product: 1 (Source: ChEMBL)
  • Passes the rule of three : N (Source: ChEMBL)
  • USAN STEM Defintion: tyrosine kinase inhibitors (Source: ChEMBL)
  • USAN STEM: -tinib (Source: ChEMBL)

    • Sources: PubChem (1) ChEMBL (7)