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Compound Detail

CHEMBL2321949

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O=C1Nc2c(cccc2C(F)(F)F)/C1=C1/Nc2ccccc2/C1=N\O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2321949
Phase Preclinical
Structure Type MOL
InChI Key LGYHLDXITMSNHT-XUGFXQJUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
3.67
ALogP
4
HBA
3
HBD
73.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10F3N3O2
MW 345.28
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
24697244 10.1021/jm401740w Polyunsaturated fatty acid 5-lipoxygenase 2
27726390 10.1021/acs.jnatprod.6b00285 KCL-22 2
23336033 10.1021/ml300207a Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
23336033 10.1021/ml300207a Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
23336033 10.1021/ml300207a Casein kinase I isoform alpha 1
23336033 10.1021/ml300207a Glycogen synthase kinase 3 beta 1
23336033 10.1021/ml300207a Cyclin-dependent kinase 5 1

Data from ChEMBL 36 via Core Engine