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Compound Detail

CHEMBL175920

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COc1cc(/C=C\c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL175920
Phase Preclinical
Structure Type MOL
InChI Key MVOBUECJYSZEKC-KTKRTIGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
5.07
ALogP
6
HBA
0
HBD
66.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23NO5S
MW 449.53
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
15658869 10.1021/jm0310737 P388 1
15658869 10.1021/jm0310737 A549 1
15658869 10.1021/jm0310737 HT-29 1
15658869 10.1021/jm0310737 NON-PROTEIN TARGET 1
15658869 10.1021/jm0310737 HL-60 1

Data from ChEMBL 36 via Core Engine