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Compound Detail

CHEMBL1782059

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COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CCC(C)(C)OC=O)CCC(C)(C)O4.O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782059
Phase Preclinical
Structure Type MOL
InChI Key KQUSCBSXBQXBQP-UHFFFAOYSA-N
Parent Compound CHEMBL1789677
Active Moiety CHEMBL1789677
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
4.35
ALogP
8
HBA
2
HBD
115.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30O9
MW 474.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 2.23

Literature References

PubMed DOI Target Context # Activities
21428375 10.1021/np200051j HT-29 2
21428375 10.1021/np200051j Transcription factor p65 1

Data from ChEMBL 36 via Core Engine