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Compound Detail

CHEMBL250426

(S)-TYLOPHORINE
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COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCC[C@H]1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250426
Name (S)-TYLOPHORINE
Phase Preclinical
Structure Type MOL
InChI Key SSEUDFYBEOIWGF-AWEZNQCLSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
4.55
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.61
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 C24H27NO4
MW 393.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.40

Activity Summary

IC50 6 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.39 7.015 41.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 7.26 6.605 55.0 2
RAW264.7
CHEMBL612557
 IC50 7.11 6.835 78.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 41.0 nM 7.39 Inhibition of NF-kappaB-mediated transcription in human HepG cells 18077159
NON-PROTEIN TARGET IC50 = 55.0 nM 7.26 Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... 25221661
RAW264.7 IC50 = 78.0 nM 7.11 Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... 25221661
Unchecked IC50 = 229.0 nM 6.64 Inhibition of GRE-mediated transcription in human HepG cells 18077159
RAW264.7 IC50 = 274.0 nM 6.56 Cytotoxicity against mouse RAW264.7 cells after 48 hrs by MTT assay 25221661
NON-PROTEIN TARGET IC50 = 1134.0 nM 5.95 Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... 25221661

Literature References

PubMed DOI Target Context # Activities
20000413 10.1021/jf902543r Tobacco mosaic virus 8
23035814 10.1021/jf303550a Tobacco mosaic virus 8
18077159 10.1016/j.bmcl.2007.11.054 Unchecked 4
25221661 10.1021/ml500255j RAW264.7 2
25221661 10.1021/ml500255j NON-PROTEIN TARGET 2
17531481 10.1016/j.bmcl.2007.05.021 PANC-1 1
18077159 10.1016/j.bmcl.2007.11.054 CCRF-CEM 1
18077159 10.1016/j.bmcl.2007.11.054 NON-PROTEIN TARGET 1
18077159 10.1016/j.bmcl.2007.11.054 PANC-1 1
22417638 10.1016/j.ejmech.2012.02.048 HL-60 1
22417638 10.1016/j.ejmech.2012.02.048 A549 1
22910225 10.1016/j.bmc.2012.07.044 MCF7 1
25221661 10.1021/ml500255j T-cell 1

Data from ChEMBL 36 via Core Engine