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Compound Detail

CHEMBL1778420

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O=C(O)C(O)Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL1778420
Phase Preclinical
Structure Type MOL
InChI Key VOXXWSYKYCBWHO-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

166.2
MW (Da)
0.67
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10O3
MW 166.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.91

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
29655609 10.1016/j.bmc.2018.02.043 Unchecked 4
23682762 10.1021/jm400374q Unchecked 2
29655609 10.1016/j.bmc.2018.02.043 Metallo-beta-lactamase type 2 2
21546250 10.1016/j.bmcl.2011.04.043 Jurkat 1
21546250 10.1016/j.bmcl.2011.04.043 Radical scavenging activity 1
23682762 10.1021/jm400374q No relevant target 1
458816 10.1021/jm00192a002 Unchecked 1
28885836 10.1021/acs.jnatprod.7b00322 Unchecked 1
31351848 10.1016/j.bmc.2019.07.027 Unchecked 1

Data from ChEMBL 36 via Core Engine