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Compound Detail

CHEMBL3114763

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O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc1cccc(C2CCN(c3ccnc(F)c3)C2)c1

Basic Information

ChEMBL ID CHEMBL3114763
Phase Preclinical
Structure Type MOL
InChI Key XJVHQVSZWYUGJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
4.18
ALogP
5
HBA
3
HBD
90.1
PSA (Ų)
0.30
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 C27H22FN5O2
MW 467.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.67

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