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Compound Detail

CHEMBL4097457

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COc1ccc(S(=O)(=O)N(Cc2ccc3nonc3c2)c2ccccc2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4097457
Phase Preclinical
Structure Type MOL
InChI Key YALALDQOBFIFKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
3.64
ALogP
7
HBA
0
HBD
94.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O5S
MW 425.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
28285917 10.1016/j.bmcl.2017.02.073 Unchecked 1

Data from ChEMBL 36 via Core Engine