Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2321956

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1Nc2c(cccc2C(F)(F)F)/C1=C1/Nc2ccc(-c3nnn[nH]3)cc2/C1=N\O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2321956
Phase Preclinical
Structure Type MOL
InChI Key INAFZNWRXIUZKP-AKVXPEQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

413.3
MW (Da)
2.85
ALogP
7
HBA
4
HBD
128.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H10F3N7O2
MW 413.32
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
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