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Compound Detail

CHEMBL3360326

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COc1ccc(-c2cccc3nc(N4CCCCC4)nn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360326
Phase Preclinical
Structure Type MOL
InChI Key IHHUHQZSOJHFSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.40
ALogP
5
HBA
0
HBD
42.7
PSA (Ų)
0.74
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 C18H20N4O
MW 308.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.40

Literature References

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

Data from ChEMBL 36 via Core Engine