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Compound Detail

CHEMBL423077

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COc1cc(OS(=O)(=O)c2ccc(=O)n(C)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423077
Phase Preclinical
Structure Type MOL
InChI Key AOJYNAZBPZBKED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
1.18
ALogP
8
HBA
0
HBD
93.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO7S
MW 355.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
11294380 10.1016/s0960-894x(01)00098-1 HCT-15 1
11294380 10.1016/s0960-894x(01)00098-1 NCI-H460 1

Data from ChEMBL 36 via Core Engine