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Compound Detail

CHEMBL3314600

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CC(C)=CCc1cc(O)c(O)c2oc3cc4c(c(O)c3c(=O)c12)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3314600
Phase Preclinical
Structure Type MOL
InChI Key NLPCIKWXJPLCOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
4.76
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.33
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 C23H22O6
MW 394.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 2.93

Literature References

PubMed DOI Target Context # Activities
24960143 10.1021/np5003498 HepG2 1
24960143 10.1021/np5003498 MCF7 1
24960143 10.1021/np5003498 MDA-MB-231 1
24960143 10.1021/np5003498 ADMET 1
24960143 10.1021/np5003498 RAW264.7 1

Data from ChEMBL 36 via Core Engine