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Compound Detail

CHEMBL230192

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CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230192
Phase Preclinical
Structure Type MOL
InChI Key DUNGTTVPRSULMF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
3.42
ALogP
7
HBA
1
HBD
95.3
PSA (Ų)
0.52
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 C20H20N4O4S
MW 412.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.59

Literature References

PubMed DOI Target Context # Activities
17197178 10.1016/j.bmcl.2006.12.034 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine