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

CHEMBL522003

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
COc1nccc(-c2ncn(Cc3cccc(C#N)c3)c2-c2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522003
Phase Preclinical
Structure Type MOL
InChI Key RRLSPIJQPKXPLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
4.07
ALogP
6
HBA
0
HBD
76.6
PSA (Ų)
0.52
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 C22H16FN5O
MW 385.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
18571921 10.1016/j.bmcl.2008.06.007 TGF-beta receptor type-1 1
18571921 10.1016/j.bmcl.2008.06.007 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine