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Compound Detail

CHEMBL255920

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CC(=O)c1c(O)cc(OC/C=C(\C)CCC=C(C)C)c2c1OC(C)(C)[C@H](O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255920
Phase Preclinical
Structure Type MOL
InChI Key IMDQZWHHGFLYHI-XMUSRXTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
4.74
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H32O5
MW 388.50
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 2.63

Literature References

PubMed DOI Target Context # Activities
18163582 10.1021/np0704349 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine