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Compound Detail

CHEMBL470650

LICHEXANTHONE
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COc1cc(C)c2c(=O)c3c(O)cc(OC)cc3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470650
Name LICHEXANTHONE
Phase Preclinical
Structure Type MOL
InChI Key QDLAGTHXVHQKRE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.98
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O5
MW 286.28
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.88

Activity Summary

IC50 2 meas. best 4.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 4.71 4.71 19500.0 1
L6
CHEMBL614793
 IC50 4.28 4.28 52100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 19500.0 nM 4.71 Antiinflammatory activity in mouse RAW 264.7 cells assessed as inhibition of LPS... 35007071
L6 IC50 = 52100.0 nM 4.28 Cytotoxicity against rat L6 cells after 72 hrs by microplate fluorimetry 21438586

Literature References

PubMed DOI Target Context # Activities
21351753 10.1021/jf1049613 Globisporangium debaryanum 4
21351753 10.1021/jf1049613 Pythium aphanidermatum 4
21351753 10.1021/jf1049613 Fusarium udum 4
21351753 10.1021/jf1049613 Athelia rolfsii 4
21351753 10.1021/jf1049613 Macrophomina phaseolina 4
21351753 10.1021/jf1049613 Rhizoctonia solani 4
11076561 10.1021/np0001326 Echinochloa crus-galli 2
11076561 10.1021/np0001326 Amaranthus hypochondriacus 2
15217278 10.1021/np030509i KM-20L2 1
15217278 10.1021/np030509i DU-145 1
15217278 10.1021/np030509i SF-268 1
12932125 10.1021/np0300986 Staphylococcus aureus 1
12932125 10.1021/np0300986 Streptococcus pneumoniae 1
12932125 10.1021/np0300986 Enterococcus faecalis 1
12932125 10.1021/np0300986 Micrococcus luteus 1
12932125 10.1021/np0300986 Enterobacter cloacae 1
15217278 10.1021/np030509i MCF7 1
35007071 10.1021/acs.jnatprod.1c00900 RAW264.7 1
12932125 10.1021/np0300986 Neisseria gonorrhoeae 1
12932125 10.1021/np0300986 Cryptococcus neoformans 1

Data from ChEMBL 36 via Core Engine