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Compound Detail

CHEMBL458690

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C=CCc1cc(OC)c(OC)c(OC)c1

Basic Information

ChEMBL ID CHEMBL458690
Phase Preclinical
Structure Type MOL
InChI Key BPLQKQKXWHCZSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

208.3
MW (Da)
2.44
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H16O3
MW 208.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
37355024 10.1016/j.bmcl.2023.129386 Unchecked 9
10543891 10.1021/np9805443 Microsporum canis 2
10543891 10.1021/np9805443 Nannizzia gypsea 2
10543891 10.1021/np9805443 Trichophyton mentagrophytes 2
10543891 10.1021/np9805443 Trichophyton rubrum 2
10543891 10.1021/np9805443 Epidermophyton floccosum 2
31642320 10.1021/acs.jnatprod.9b00520 RAW264.7 2
10543891 10.1021/np9805443 Candida albicans 1
10543891 10.1021/np9805443 Saccharomyces cerevisiae 1
10543891 10.1021/np9805443 Cryptococcus neoformans 1
10543891 10.1021/np9805443 Aspergillus flavus 1
10543891 10.1021/np9805443 Aspergillus fumigatus 1
10543891 10.1021/np9805443 Aspergillus niger 1

Data from ChEMBL 36 via Core Engine