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

CHEMBL594711

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
COc1c(Cl)cnn(-c2cc(Cl)cc(Cl)c2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594711
Phase Preclinical
Structure Type MOL
InChI Key DVLJXVZOXUSCEV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.6
MW (Da)
3.20
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H7Cl3N2O2
MW 305.55
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
19781950 10.1016/j.bmc.2009.08.067 Unchecked 1

Data from ChEMBL 36 via Core Engine