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Compound Detail

CHEMBL1288593

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CCCCOc1cc2oc(=O)ccc2cc1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1288593
Phase Preclinical
Structure Type MOL
InChI Key DHDLGZWXFVLJCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

260.3
MW (Da)
3.17
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16O4
MW 260.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.10

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