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Compound Detail

CHEMBL443474

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COc1ccc(-c2cc(O)c3cc(OC)c(OC)cc3n2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL443474
Phase Preclinical
Structure Type MOL
InChI Key GLVDOXITTLWVGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.64
ALogP
6
HBA
1
HBD
70.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO5
MW 341.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.13

Literature References

PubMed DOI Target Context # Activities
8164254 10.1021/jm00034a010 Tubulin beta chain 1
8164254 10.1021/jm00034a010 NCI-H226 1
8164254 10.1021/jm00034a010 HCT-116 1
8164254 10.1021/jm00034a010 OVCAR-3 1
8164254 10.1021/jm00034a010 RXF 393 1
8164254 10.1021/jm00034a010 SK-MEL-5 1
8164254 10.1021/jm00034a010 SF-268 1
8164254 10.1021/jm00034a010 SF-295 1

Data from ChEMBL 36 via Core Engine