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Compound Detail

CHEMBL216028

CORUSCANONE A
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COC(/C=C/c1ccccc1)=C1\C(=O)C=C(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216028
Name CORUSCANONE A
Phase Preclinical
Structure Type MOL
InChI Key QNDUJCPJQJQOAB-IDRAWEHWSA-N
7
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
2.70
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.47
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 C16H14O3
MW 254.28
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.69

Activity Summary

IC50 10 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 IC50 5.44 5.44 3600.0 1
L1210
CHEMBL386
 IC50 5.42 5.42 3800.0 1
Trichophyton mentagrophytes
CHEMBL613162
 IC50 5.41 5.26 3910.0 2
HL-60
CHEMBL383
 IC50 5.35 5.35 4500.0 1
Cryptococcus neoformans
CHEMBL365
 IC50 5.1 5.1 8020.0 1
Aspergillus fumigatus
CHEMBL363
 IC50 4.5 4.5 31250.0 1
Lichtheimia corymbifera
CHEMBL612369
 IC50 4.5 4.5 31250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 3600.0 nM 5.44 Cytostatic activity against human CCRF-CEM cells after 72 hrs by XTT assay 21903391
L1210 IC50 = 3800.0 nM 5.42 Cytostatic activity against mouse L1210 cells after 72 hrs by XTT assay 21903391
Trichophyton mentagrophytes IC50 = 3910.0 nM 5.41 Antifungal activity against Trichophyton mentagrophytes 445 after 72 hrs by micr... 21903391
HL-60 IC50 = 4500.0 nM 5.35 Cytostatic activity against human HL60 cells after 72 hrs by XTT assay 21903391
Trichophyton mentagrophytes IC50 = 7810.0 nM 5.11 Antifungal activity against Trichophyton mentagrophytes 445 after 120 hrs by mic... 21903391
Cryptococcus neoformans IC50 = 8020.0 nM 5.1 Antifungal activity against Cryptococcus neoformans ATCC 90113 assessed as growt... -
Aspergillus fumigatus IC50 = 31250.0 nM 4.5 Antifungal activity against Aspergillus fumigatus 231 after 24 hrs by microdilut... 21903391
Lichtheimia corymbifera IC50 = 31250.0 nM 4.5 Antifungal activity against Absidia corymbifera 272 after 24 hrs by microdilutio... 21903391

Literature References

PubMed DOI Target Context # Activities
17181171 10.1021/jm061123i Candida albicans 9
21903391 10.1016/j.bmcl.2011.08.059 Candida albicans 4
21903391 10.1016/j.bmcl.2011.08.059 Pichia kudriavzevii 4
17181171 10.1021/jm061123i Cryptococcus neoformans 3
17181171 10.1021/jm061123i Aspergillus fumigatus 3
- 10.1039/C2MD20143G Leishmania donovani 2
21903391 10.1016/j.bmcl.2011.08.059 ADMET 2
21903391 10.1016/j.bmcl.2011.08.059 Trichophyton mentagrophytes 2
21903391 10.1016/j.bmcl.2011.08.059 Lichtheimia corymbifera 2
21903391 10.1016/j.bmcl.2011.08.059 Aspergillus fumigatus 2
21903391 10.1016/j.bmcl.2011.08.059 Trichosporon asahii 2
21903391 10.1016/j.bmcl.2011.08.059 Clavispora lusitaniae 2
21903391 10.1016/j.bmcl.2011.08.059 Nakaseomyces glabratus 2
21903391 10.1016/j.bmcl.2011.08.059 Candida tropicalis 2
21903391 10.1016/j.bmcl.2011.08.059 Candida parapsilosis 2
21903391 10.1016/j.bmcl.2011.08.059 L1210 1
21903391 10.1016/j.bmcl.2011.08.059 HL-60 1
17181171 10.1021/jm061123i LLC-PK1 1
21903391 10.1016/j.bmcl.2011.08.059 CCRF-CEM 1
- 10.1039/C2MD20143G Vero 1

Data from ChEMBL 36 via Core Engine