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Compound Detail

CHEMBL2403545

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COc1cc(/C=C2\OC(=O)C(c3ccccc3Cl)=C2c2ccc(S(C)(=O)=O)cc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403545
Phase Preclinical
Structure Type MOL
InChI Key FGNAKCGPKCTZBG-BKUYFWCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

527.0
MW (Da)
5.28
ALogP
7
HBA
0
HBD
88.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H23ClO7S
MW 526.99
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
23735281 10.1016/j.ejmech.2013.04.062 PC-3 3
23735281 10.1016/j.ejmech.2013.04.062 DU-145 1

Data from ChEMBL 36 via Core Engine