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

CHEMBL222263

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
CCCC1(c2ccccc2)OC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222263
Phase Preclinical
Structure Type MOL
InChI Key XFEGMKAZXJAGRJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
1.95
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13NO3
MW 219.24
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15588087 10.1021/jm040077o Unchecked 1
24332655 10.1016/j.bmc.2013.11.049 Unchecked 1

Data from ChEMBL 36 via Core Engine