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Compound Detail

CHEMBL115490

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COc1cc(CC2c3ccccc3C(=O)c3ccccc32)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL115490
Phase Preclinical
Structure Type MOL
InChI Key MHXGKSLZUMTWOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.63
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.65
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 C24H22O4
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
12852768 10.1021/jm0307685 K562 1
12852768 10.1021/jm0307685 Tubulin 1

Data from ChEMBL 36 via Core Engine