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Compound Detail

CHEMBL2227736

TYLOPHORINE P-AMINOBENZENESULFONIC ACID SALT
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COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCC1C3.Nc1ccc(S(=O)(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2227736
Name TYLOPHORINE P-AMINOBENZENESULFONIC ACID SALT
Phase Preclinical
Structure Type MOL
InChI Key ZTXUAFCWLQSXLG-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

566.7
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N2O7S
MW 566.68

Activity Summary

IC50 4 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 6.76 6.685 175.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.71 6.69 193.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 175.0 nM 6.76 Cytotoxicity against mouse RAW264.7 cells after 48 hrs by MTT assay 25221661
NON-PROTEIN TARGET IC50 = 193.0 nM 6.71 Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... 25221661
NON-PROTEIN TARGET IC50 = 215.0 nM 6.67 Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... 25221661
RAW264.7 IC50 = 248.0 nM 6.61 Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... 25221661

Literature References

PubMed DOI Target Context # Activities
20000413 10.1021/jf902543r Tobacco mosaic virus 8
25221661 10.1021/ml500255j RAW264.7 2
25221661 10.1021/ml500255j NON-PROTEIN TARGET 2
25221661 10.1021/ml500255j T-cell 1

Data from ChEMBL 36 via Core Engine