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

CHEMBL4067456

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
Cl.FC(F)(F)c1ccc2nc3cc4ccccc4cc3c(-c3ccccc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4067456
Phase Preclinical
Structure Type MOL
InChI Key RGXPVOHHGUTITH-UHFFFAOYSA-N
Parent Compound CHEMBL4117089
Active Moiety CHEMBL4117089
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
7.23
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15ClF3N
MW 409.84
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
28882502 10.1016/j.bmc.2017.07.067 MCF7 3

Data from ChEMBL 36 via Core Engine