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

CHEMBL5408830

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
CCOc1ncc2cc(-c3ccc4ncn5c4c3OCC5)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408830
Phase Preclinical
Structure Type MOL
InChI Key KUFWBZVCGYEMGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.4
MW (Da)
4.19
ALogP
9
HBA
0
HBD
93.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19F2N5O4
MW 491.45
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.97

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