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Compound Detail

CHEMBL1095396

TROGOPTEROID E
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CC(C)c1c(O)ccc2c1C[C@@H](O)[C@H]1C(C)(C)C(=O)CC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1095396
Name TROGOPTEROID E
Phase Preclinical
Structure Type MOL
InChI Key SYBCSWBINLAVDP-MOXGXCLJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.70
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H28O3
MW 316.44
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.69

Literature References

PubMed DOI Target Context # Activities
20402524 10.1021/np900814s HepG2 1
20402524 10.1021/np900814s HL-60 1
20402524 10.1021/np900814s Jurkat 1
20402524 10.1021/np900814s U-937 1

Data from ChEMBL 36 via Core Engine