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Compound Detail

CHEMBL509319

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Cc1cc(=O)c2c(C)cc(O)cc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL509319
Phase Preclinical
Structure Type MOL
InChI Key CRNGFKXWIYTEPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
2.12
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.69
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 C11H10O3
MW 190.20
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness 1.38

Literature References

PubMed DOI Target Context # Activities
18494522 10.1021/np070447m L5178Y 1
21146414 10.1016/j.bmc.2010.11.012 Trypanosoma brucei brucei 1
29786436 10.1021/acs.jnatprod.8b00015 ACHN 1
29786436 10.1021/acs.jnatprod.8b00015 786-0 1
29786436 10.1021/acs.jnatprod.8b00015 OS-RC-2 1
29786436 10.1021/acs.jnatprod.8b00015 HepG2 1
29786436 10.1021/acs.jnatprod.8b00015 SGC-7901 1
29786436 10.1021/acs.jnatprod.8b00015 Escherichia coli 1
29786436 10.1021/acs.jnatprod.8b00015 Staphylococcus aureus 1
29786436 10.1021/acs.jnatprod.8b00015 Erysipelothrix rhusiopathiae 1
29786436 10.1021/acs.jnatprod.8b00015 Pasteurella multocida 1

Data from ChEMBL 36 via Core Engine