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Compound Detail

CHEMBL1094786

TROGOPTEROID A
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CC1=C2C=C[C@]34C[C@](C)(CC[C@@H]3[C@@]2(C)CCC1=O)C(=O)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094786
Name TROGOPTEROID A
Phase Preclinical
Structure Type MOL
InChI Key IDZFHPGGTPUPGD-UBDQQSCGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
3.34
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H22O3
MW 286.37
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 3.01

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