WHI-P131

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Synonyms
Status
Molecule Category Free-form
UNII 1J8Q49TR3I

Structure

InChI Key HOZUXBLMYUPGPZ-UHFFFAOYSA-N
Smiles COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC
InChI
InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15N3O3
Molecular Weight 297.31
AlogP 3.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 76.5
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Tyrosine-protein kinase JAK3 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - - - 59
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 720 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- - - - 31
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 720 - - 31-59

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL405130
FDA SRS 1J8Q49TR3I
SureChEMBL SCHEMBL29295
ZINC ZINC000000009851
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