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Compound Detail

CHEMBL506601

TRICOLORIN A
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CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O1)O[C@H](C)[C@H](O)[C@@H]3O)[C@@H]2O[C@@H]1O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1OC(=O)[C@@H](C)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506601
Name TRICOLORIN A
Phase Preclinical
Structure Type MOL
InChI Key DWBKNMQALHFQLC-YSLUMIJWSA-N
7
Targets
21
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

1023.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C50H86O21
MW 1023.22

Activity Summary

IC50 21 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Spinacia oleracea
CHEMBL612824
 IC50 5.3 5.3 5000.0 1
Lolium multiflorum
CHEMBL2367274
 IC50 5.1 4.905 8000.0 4
Triticum aestivum
CHEMBL612836
 IC50 5.07 4.7175 8500.0 4
Physalis ixocarpa
CHEMBL2366827
 IC50 4.93 4.8875 11700.0 4
Echinochloa crus-galli
CHEMBL612343
 IC50 4.91 4.675 12300.0 2
Trifolium alexandrinum
CHEMBL2366679
 IC50 4.9 4.775 12700.0 4
Amaranthus hypochondriacus
CHEMBL613799
 IC50 4.44 4.44 36200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Spinacia oleracea IC50 = 5000.0 nM 5.3 Inhibition of hill reaction in Spinacia oleracea (spinach) chloroplast 23303337
Lolium multiflorum IC50 = 8000.0 nM 5.1 Herbicidal activity against Lolium multiflorum (Italian ryegrass) assessed as in... 23303337
Triticum aestivum IC50 = 8500.0 nM 5.07 Herbicidal activity against Triticum vulgare var. Salamanca (wheat) assessed as ... 23303337
Physalis ixocarpa IC50 = 11700.0 nM 4.93 Herbicidal activity against Physalis ixocarpa assessed as inhibition of seed res... 23303337
Lolium multiflorum IC50 = 12300.0 nM 4.91 Herbicidal activity against Lolium multiflorum (Italian ryegrass) assessed as in... 23303337
Echinochloa crus-galli IC50 = 12300.0 nM 4.91 Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as ... 23303337
Trifolium alexandrinum IC50 = 12700.0 nM 4.9 Herbicidal activity against Trifolium alexandrinum assessed as inhibition of sho... 23303337
Physalis ixocarpa IC50 = 12700.0 nM 4.9 Herbicidal activity against Physalis ixocarpa assessed as inhibition of shoot el... 23303337
Physalis ixocarpa IC50 = 13800.0 nM 4.86 Herbicidal activity against Physalis ixocarpa assessed as inhibition of root elo... 23303337
Physalis ixocarpa IC50 = 13800.0 nM 4.86 Herbicidal activity against Physalis ixocarpa assessed as inhibition of seed ger... 23303337
Lolium multiflorum IC50 = 15300.0 nM 4.82 Herbicidal activity against Lolium multiflorum (Italian ryegrass) assessed as in... 23303337
Trifolium alexandrinum IC50 = 16000.0 nM 4.8 Herbicidal activity against Trifolium alexandrinum assessed as inhibition of see... 23303337
Lolium multiflorum IC50 = 16100.0 nM 4.79 Herbicidal activity against Lolium multiflorum (Italian ryegrass) assessed as in... 23303337
Trifolium alexandrinum IC50 = 18000.0 nM 4.75 Herbicidal activity against Trifolium alexandrinum assessed as inhibition of roo... 23303337
Trifolium alexandrinum IC50 = 22600.0 nM 4.65 Herbicidal activity against Trifolium alexandrinum assessed as inhibition of see... 23303337
Triticum aestivum IC50 = 24100.0 nM 4.62 Herbicidal activity against Triticum vulgare var. Salamanca (wheat) assessed as ... 23303337
Triticum aestivum IC50 = 25700.0 nM 4.59 Herbicidal activity against Triticum vulgare var. Salamanca (wheat) assessed as ... 23303337
Triticum aestivum IC50 = 25700.0 nM 4.59 Herbicidal activity against Triticum vulgare var. Salamanca (wheat) assessed as ... 23303337
Amaranthus hypochondriacus IC50 = 36200.0 nM 4.44 Herbicidal activity against Amaranthus hypochondriacus assessed as inhibition of... 23303337
Echinochloa crus-galli IC50 = 36100.0 nM 4.44 Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as ... 23303337

Literature References

PubMed DOI Target Context # Activities
23303337 10.3390/molecules18010778 Lolium multiflorum 13
23303337 10.3390/molecules18010778 Physalis ixocarpa 13
23303337 10.3390/molecules18010778 Trifolium alexandrinum 12
23303337 10.3390/molecules18010778 Triticum aestivum 12
16562846 10.1021/np050227d Staphylococcus aureus 5
8496705 10.1021/np50094a018 Echinochloa crus-galli 5
8496705 10.1021/np50094a018 Amaranthus hypochondriacus 5
18500841 10.1021/np800148w Staphylococcus aureus 4
22148475 10.1021/np200864m Unchecked 3
23303337 10.3390/molecules18010778 Echinochloa crus-galli 2
23303337 10.3390/molecules18010778 Amaranthus hypochondriacus 2
8496705 10.1021/np50094a018 Unchecked 2
23303337 10.3390/molecules18010778 Spinacia oleracea 2
8496705 10.1021/np50094a018 NON-PROTEIN TARGET 2
8496705 10.1021/np50094a018 A-431 1
8496705 10.1021/np50094a018 SK-MEL-2 1
8496705 10.1021/np50094a018 HT-1080 1
8496705 10.1021/np50094a018 Col2 1
8496705 10.1021/np50094a018 Staphylococcus aureus 1
8882437 10.1021/np960199m Amaranthus hypochondriacus 1

Data from ChEMBL 36 via Core Engine