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

CHEMBL5433500

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
CCOc1ncc2c(n1)n(-c1ccc(OC(F)F)cc1)c(=O)n2Cc1ccc2nn(C)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5433500
Phase Preclinical
Structure Type MOL
InChI Key ZPBWUNUFLDJJPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

466.4
MW (Da)
3.52
ALogP
9
HBA
0
HBD
89.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F2N6O3
MW 466.45
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
36961373 10.1021/acs.jmedchem.2c02006 S-adenosylmethionine synthase isoform type-2 1
36961373 10.1021/acs.jmedchem.2c02006 HCT-116 1

Data from ChEMBL 36 via Core Engine