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Compound Detail

CHEMBL1650952

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O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1cc(F)ccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1650952
Phase Preclinical
Structure Type MOL
InChI Key BINXNLWGCFGBLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

374.3
MW (Da)
3.89
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H10F4N2O2
MW 374.29
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
21155605 10.1021/jm101157q Tyrosine-protein kinase JAK1 1
21155605 10.1021/jm101157q Tyrosine-protein kinase JAK2 1
21155605 10.1021/jm101157q Tyrosine-protein kinase JAK3 1
21155605 10.1021/jm101157q Non-receptor tyrosine-protein kinase TYK2 1

Data from ChEMBL 36 via Core Engine