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Compound Detail

CHEMBL59220

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COc1cc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59220
Phase Preclinical
Structure Type MOL
InChI Key HCAGTMLWEWVIJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
2.91
ALogP
9
HBA
2
HBD
116.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O9
MW 404.37
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 1.39

Literature References

PubMed DOI Target Context # Activities
9632366 10.1021/jm970842h Tubulin 2
8642556 10.1021/jm960008c Medulloblastoma tumour cell line 1
9632366 10.1021/jm970842h Panel NCI-60 (60 carcinoma cell lines) 1
15043421 10.1021/np034011s Cyclin-dependent kinase 5 1
7623025 10.1021/np50118a001 KB 1
7623025 10.1021/np50118a001 A549 1
7623025 10.1021/np50118a001 HCT-8 1
7623025 10.1021/np50118a001 P388 1
7623025 10.1021/np50118a001 NON-PROTEIN TARGET 1
7623025 10.1021/np50118a001 TE-671 1
7964782 10.1021/np50109a024 KB 1

Data from ChEMBL 36 via Core Engine