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Compound Detail

CHEMBL3360324

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COc1ccc(-c2cccc3nc(NC(C)=O)nn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360324
Phase Preclinical
Structure Type MOL
InChI Key XOWJHOYWSTZXPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.36
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4O2
MW 282.30
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
25369270 10.1021/jm501262q Tyrosine-protein kinase JAK1 1

Data from ChEMBL 36 via Core Engine