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Compound Detail

CHEMBL61133

SULOCHRIN
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COC(=O)c1cc(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61133
Name SULOCHRIN
Phase Preclinical
Structure Type MOL
InChI Key YJRLSCDUYLRBIZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
2.14
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H16O7
MW 332.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.86

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.0 7.0 100.0 1
L5178Y
CHEMBL614720
 IC50 5.29 5.29 5100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 100.0 nM 7.0 Inhibitory activity against eosinophil degranulation 10450959
L5178Y IC50 = 5100.0 nM 5.29 Cytotoxicity against mouse L5178Y cells assessed as reduction in cell viability ... 33248353

Literature References

PubMed DOI Target Context # Activities
31466836 10.1016/j.bmc.2019.07.021 A2780S 3
31466836 10.1016/j.bmc.2019.07.021 L5178Y 3
33248353 10.1016/j.bmc.2020.115883 MDA-MB-231 2
29016131 10.1021/acs.jnatprod.6b00878 Human immunodeficiency virus 1 2
31466836 10.1016/j.bmc.2019.07.021 Escherichia coli 1
34766503 10.1021/acs.jnatprod.1c00400 Human alphaherpesvirus 2 1
34766503 10.1021/acs.jnatprod.1c00400 Human alphaherpesvirus 1 1
33248353 10.1016/j.bmc.2020.115883 L5178Y 1
31466836 10.1016/j.bmc.2019.07.021 Acinetobacter baumannii 1
31466836 10.1016/j.bmc.2019.07.021 Klebsiella aerogenes 1
31466836 10.1016/j.bmc.2019.07.021 Klebsiella pneumoniae 1
31466836 10.1016/j.bmc.2019.07.021 Enterococcus faecium 1
31466836 10.1016/j.bmc.2019.07.021 Pseudomonas aeruginosa 1
10450959 10.1016/s0960-894x(99)00305-4 Unchecked 1
31466836 10.1016/j.bmc.2019.07.021 Staphylococcus aureus 1
31466836 10.1016/j.bmc.2019.07.021 Mycobacterium tuberculosis 1
29016131 10.1021/acs.jnatprod.6b00878 SUP-T1 1
11809055 10.1021/np0102758 Caenorhabditis elegans 1
11809055 10.1021/np0102758 Rhizoctonia solani 1
11809055 10.1021/np0102758 Gaeumannomyces tritici 1

Data from ChEMBL 36 via Core Engine