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Compound Detail

CHEMBL523790

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COc1cc(OC)c(C2CCC(=O)c3c(OC)cc(OC)c(OC)c32)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523790
Phase Preclinical
Structure Type MOL
InChI Key HDOLGKQZQAYPJH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.85
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.70
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 C22H26O7
MW 402.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
16499324 10.1021/np050457s HL-60 2
16499324 10.1021/np050457s MCF7 2
16499324 10.1021/np050457s HeLa 2

Data from ChEMBL 36 via Core Engine