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Compound Detail

CHEMBL4450289

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COc1ccc(-c2cc3c(cn2)n(C2CC2)c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4450289
Phase Preclinical
Structure Type MOL
InChI Key HODDHKHWNUOBEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
3.93
ALogP
9
HBA
1
HBD
97.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N3O6
MW 463.49
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
31185410 10.1016/j.ejmech.2019.05.072 A2780 1
31185410 10.1016/j.ejmech.2019.05.072 HeLa 1
31185410 10.1016/j.ejmech.2019.05.072 HCT-116 1
31185410 10.1016/j.ejmech.2019.05.072 A549 1

Data from ChEMBL 36 via Core Engine