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Compound Detail

CHEMBL427056

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COc1ccc(CCC(=O)Oc2c3ccccc3cc3sccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL427056
Phase Preclinical
Structure Type MOL
InChI Key IZQXQWBSRIVKPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
5.60
ALogP
4
HBA
0
HBD
35.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18O3S
MW 362.45
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
17181164 10.1021/jm0605031 K562 1
17181164 10.1021/jm0605031 Tubulin 1

Data from ChEMBL 36 via Core Engine