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Compound Detail

CHEMBL3597145

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CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)c(C)c3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597145
Phase Preclinical
Structure Type MOL
InChI Key ZMTOHZHYPNXLBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

554.7
MW (Da)
6.32
ALogP
8
HBA
1
HBD
96.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N2O6S2
MW 554.69
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
25937236 10.1016/j.bmc.2015.04.055 NON-PROTEIN TARGET 2
25937236 10.1016/j.bmc.2015.04.055 SK-OV-3 1
25937236 10.1016/j.bmc.2015.04.055 HepG2 1
25937236 10.1016/j.bmc.2015.04.055 HCT-116 1

Data from ChEMBL 36 via Core Engine