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Compound Detail

CHEMBL250854

TYLOPHORINIDINE
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COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@H]1[C@H]3O

Basic Information

ChEMBL ID CHEMBL250854
Name TYLOPHORINIDINE
Phase Preclinical
Structure Type MOL
InChI Key CMFIDYCYVJWPPL-PGRDOPGGSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
3.73
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H23NO4
MW 365.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 1.20

Activity Summary

IC50 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.0 7.51 10.0 2
Transcription factor Jun
CHEMBL4977
IC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17531481 10.1016/j.bmcl.2007.05.021 HepG2 3
17531481 10.1016/j.bmcl.2007.05.021 Unchecked 2
17531481 10.1016/j.bmcl.2007.05.021 PANC-1 1
17531481 10.1016/j.bmcl.2007.05.021 Transcription factor Jun 1

Data from ChEMBL 36 via Core Engine