NAPABUCASIN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z1HHM49K7O

Structure
InChI Key DPHUWDIXHNQOSY-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
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
- - - - 85
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - - - 85
Transcription factor
1900-2000 3200 - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials
Colorectal Neoplasms 3 D015179 ClinicalTrials
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Carcinoma, Pancreatic Ductal 3 D021441 ClinicalTrials
Hematologic Neoplasms 1 D019337 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 83280-65-3
ChEMBL CHEMBL64130
DrugBank DB12155
FDA SRS Z1HHM49K7O
PubChem 10331844
SureChEMBL SCHEMBL1883845
ZINC ZINC000013306865
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