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Compound Detail

CHEMBL3884255

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Cc1cc(O)c2c(c1)C(O)CCC2=O

Basic Information

ChEMBL ID CHEMBL3884255
Phase Preclinical
Structure Type MOL
InChI Key JOCZVRFSKAUXRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

192.2
MW (Da)
1.71
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H12O3
MW 192.21
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
27569197 10.1016/j.ejmech.2016.08.034 DNA gyrase subunit A/DNA gyrase subunit B 1
34743062 10.1016/j.ejmech.2021.113964 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine