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Compound Detail

CHEMBL222028

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C[C@H](Nc1ccnc(-n2ccc3ccncc32)n1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222028
Phase Preclinical
Structure Type MOL
InChI Key CFUFAGYYVDZNEY-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.99
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5
MW 315.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
16934457 10.1016/j.bmcl.2006.08.022 Tyrosine-protein kinase JAK3 1
16934457 10.1016/j.bmcl.2006.08.022 Tyrosine-protein kinase JAK2 1

Data from ChEMBL 36 via Core Engine