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Compound Detail

CHEMBL3114782

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O=C1C=C(Nc2cccc(OCCNc3ccnc(F)c3)c2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3114782
Phase Preclinical
Structure Type MOL
InChI Key IWUZBOXHKMMRPD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
1.66
ALogP
6
HBA
3
HBD
92.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15FN4O3
MW 342.33
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
24461299 10.1016/j.bmcl.2014.01.001 Non-receptor tyrosine-protein kinase TYK2 1
24461299 10.1016/j.bmcl.2014.01.001 Tyrosine-protein kinase JAK3 1
24461299 10.1016/j.bmcl.2014.01.001 Tyrosine-protein kinase JAK2 1
24461299 10.1016/j.bmcl.2014.01.001 Tyrosine-protein kinase JAK1 1

Data from ChEMBL 36 via Core Engine