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

CHEMBL1290010

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
CC(=O)c1cc2ccc(=O)oc2cc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1290010
Phase Preclinical
Structure Type MOL
InChI Key KGCGFZVCFSWNLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
3.57
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14O4
MW 294.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
21067924 10.1016/j.bmcl.2010.10.094 Carbonic anhydrase 1 1
21067924 10.1016/j.bmcl.2010.10.094 Carbonic anhydrase 2 1
21067924 10.1016/j.bmcl.2010.10.094 Carbonic anhydrase 9 1
21067924 10.1016/j.bmcl.2010.10.094 Zn finger protein 1

Data from ChEMBL 36 via Core Engine