General Information of the Compound
Compound ID
CP0026231
Compound Name
ONX-0803
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Synonyms
JAK inhibitor (alone or in combination)s
Pacritinib
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Structure
Formula
C28H32N4O3
Molecular Weight
472.589
Canonical SMILES
C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
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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+
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InChIKey
HWXVIOGONBBTBY-ONEGZZNKSA-N
CAS
937272-79-2
Physicochemical Property
logP
4.9648
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
68.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
35

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46216796
SID: 104174247
ChEMBL ID
CHEMBL2035187
DrugBank ID
DB11697
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000224 SET-2 Homo sapiens (Human)  1
1
IC50 = 915.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pacritinib )
Drug Name Pacritinib
Company CTI Biopharma
Indication
Myelofibrosis
Phase 3
Target(s)
Fms-like tyrosine kinase 3 (FLT-3)
Modulator
Janus kinase 3 (JAK-3)
Modulator