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

CHEMBL3314275

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
CSc1nccc(-c2c(-c3ccc(F)cc3)nc3nc(-c4cn(CCP(=O)([O-])[O-])nn4)ccn23)n1.[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314275
Phase Preclinical
Structure Type MOL
InChI Key CFRGENDBRVRDEV-UHFFFAOYSA-L
Parent Compound CHEMBL3558116
Active Moiety CHEMBL3558116
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

512.5
MW (Da)
3.15
ALogP
10
HBA
2
HBD
144.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16FN8Na2O3PS
MW 556.43
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
24930833 10.1016/j.bmcl.2014.05.080 Mitogen-activated protein kinase 14 1
24930833 10.1016/j.bmcl.2014.05.080 Casein kinase I isoform delta 1
24930833 10.1016/j.bmcl.2014.05.080 Tyrosine-protein kinase JAK1 1
24930833 10.1016/j.bmcl.2014.05.080 Tyrosine-protein kinase JAK2 1
24930833 10.1016/j.bmcl.2014.05.080 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine