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

CHEMBL4212313

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
FC(F)(F)Oc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212313
Phase Preclinical
Structure Type MOL
InChI Key MRKOLAWLXQTOPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.3
MW (Da)
5.44
ALogP
6
HBA
1
HBD
69.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F3N3O3
MW 401.34
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
30074791 10.1021/acs.jmedchem.8b00727 Phosphatidylcholine:ceramide cholinephosphotransferase 2 1
30074791 10.1021/acs.jmedchem.8b00727 Phosphatidylcholine:ceramide cholinephosphotransferase 1 1

Data from ChEMBL 36 via Core Engine