Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL493620

(+/-)-TYLOPHORINE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCCC1C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493620
Name (+/-)-TYLOPHORINE
Phase Preclinical
Structure Type MOL
InChI Key SSEUDFYBEOIWGF-UHFFFAOYSA-N
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
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 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.52 7.52 30.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 7.46 6.76 35.0 2
RAW264.7
CHEMBL612557
 IC50 6.9 6.74 125.0 2
HCT-116
CHEMBL394
 IC50 6.17 6.17 670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 30.0 nM 7.52 Inhibition of TNFalpha-induced NF-kappaB activation in human A549 cells after 30... 22910225
NON-PROTEIN TARGET IC50 = 35.0 nM 7.46 Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... 25221661
RAW264.7 IC50 = 125.0 nM 6.9 Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... 25221661
RAW264.7 IC50 = 261.0 nM 6.58 Cytotoxicity against mouse RAW264.7 cells after 48 hrs by MTT assay 25221661
HCT-116 IC50 = 670.0 nM 6.17 Cytotoxicity against human HCT116 cells 18343127
NON-PROTEIN TARGET IC50 = 871.0 nM 6.06 Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... 25221661

Literature References

PubMed DOI Target Context # Activities
22662864 10.1021/jf3013376 Tobacco mosaic virus 8
20000413 10.1021/jf902543r Tobacco mosaic virus 8
22417638 10.1016/j.ejmech.2012.02.048 HL-60 4
22417638 10.1016/j.ejmech.2012.02.048 A549 4
25221661 10.1021/ml500255j RAW264.7 2
25221661 10.1021/ml500255j NON-PROTEIN TARGET 2
18343127 10.1016/j.bmc.2008.02.073 HCT-116 1
22910225 10.1016/j.bmc.2012.07.044 MCF7 1
22910225 10.1016/j.bmc.2012.07.044 DU-145 1
22910225 10.1016/j.bmc.2012.07.044 A549 1
22910225 10.1016/j.bmc.2012.07.044 Unchecked 1
25221661 10.1021/ml500255j T-cell 1

Data from ChEMBL 36 via Core Engine