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Compound Detail

CHEMBL255537

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O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255537
Phase Preclinical
Structure Type MOL
InChI Key IMJRMYKAGGWMML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.72
ALogP
4
HBA
2
HBD
79.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N2O3S
MW 298.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
18024113 10.1016/j.bmcl.2007.10.100 NF-kappa-B inhibitor alpha 2
18024113 10.1016/j.bmcl.2007.10.100 Transcription factor p65 2
18024113 10.1016/j.bmcl.2007.10.100 Unchecked 1
18024113 10.1016/j.bmcl.2007.10.100 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine