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Compound Detail

CHEMBL3360340

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CC(C)(C)OCc1ccccc1-c1cccc2nc(NC(=O)C3CC3)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360340
Phase Preclinical
Structure Type MOL
InChI Key VWNCPJLITIORKC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
4.06
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O2
MW 364.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.42

Literature References

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

Data from ChEMBL 36 via Core Engine