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

CHEMBL2171899

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
CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171899
Phase Preclinical
Structure Type MOL
InChI Key ZDUULZLOFHAOSM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.9
MW (Da)
5.48
ALogP
5
HBA
1
HBD
89.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19ClO6
MW 462.89
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.62

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22650325 10.1021/jm300207s Signal transducer and activator of transcription 3 2

Data from ChEMBL 36 via Core Engine