NAPABUCASIN

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Synonyms
Status
Molecule Category Free-form
UNII Z1HHM49K7O

Structure

InChI Key DPHUWDIXHNQOSY-UHFFFAOYSA-N
Smiles CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
InChI
InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H8O4
Molecular Weight 240.21
AlogP 2.26
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 64.35
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - - - 84.7-95.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - - - 84.7-95.5
Enzyme Oxidoreductase
- 425.32 - - -
Transcription factor
- - - - 100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 23.04-840 - - 7.4-100
Human herpesvirus 4
- - - - 0-32.7

Cross References

Resources Reference
ChEMBL CHEMBL64130
DrugBank DB12155
FDA SRS Z1HHM49K7O
PubChem 10331844
SureChEMBL SCHEMBL1883845
ZINC ZINC000013306865
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