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Compound Detail

CHEMBL424131

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COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)C(N)CS
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL424131
Phase Preclinical
Structure Type MOL
InChI Key UUHKNWNUPJSOSK-ARJAWSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
2.80
ALogP
7
HBA
3
HBD
92.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O5S
MW 402.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
12570374 10.1021/jm020204l Unchecked 5
12570374 10.1021/jm020204l MCF7 3
12570374 10.1021/jm020204l P388 1
12570374 10.1021/jm020204l Tubulin alpha chain 1

Data from ChEMBL 36 via Core Engine