General Information of the Compound
Compound ID
CP0327686
Compound Name
HM71224
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Synonyms
1353552-97-2
2-Propenamide, N-(3-((2-((4-(4-methyl-1-piperazinyl)phenyl)amino)furo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-
BDBM50369724
BS-15248
CHEMBL4163691
CS-0030508
D01E4B1U35
Example 228 [WO2011162515A2]
GTPL9862
HM-71224
HM71224
HY-109010
LY333764
LY3337641
N-(3-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)furo[3,2-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
N-(3-((2-(4-(4-Methylpiperazin-1-yl)anilino)furo(3,2-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide
N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Poseltinib
Poseltinib [INN]
Q27275916
SCHEMBL14915064
UNII-D01E4B1U35
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Structure
Formula
C26H26N6O3
Molecular Weight
470.533
Canonical SMILES
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3occc3n2)cc1
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InChI
InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)
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InChIKey
LZMJNVRJMFMYQS-UHFFFAOYSA-N
CAS
1353552-97-2
Physicochemical Property
logP
4.635
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
95.76
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
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: 56644522
SID: 134421582
ChEMBL ID
CHEMBL4163691
DrugBank ID
DB16299
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00892, Tyrosine-protein kinase JAK3
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 14.6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( HM71224 )
Drug Name HM71224
Company Hanmi Pharmaceutical
Indication
Rheumatoid arthritis
Phase 1
Target(s)
Tyrosine-protein kinase BTK (ATK)
 Target Info 
Inhibitor