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Compound Detail

CHEMBL3290617

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O=C1c2ccncc2C(=O)N1Nc1ncnc2scc(-c3cccs3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3290617
Phase Preclinical
Structure Type MOL
InChI Key PWDNBPRLDQVOKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.44
ALogP
8
HBA
1
HBD
88.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H9N5O2S2
MW 379.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
24813730 10.1016/j.bmcl.2014.04.058 Inhibitor of nuclear factor kappa-B kinase subunit beta 2
24813730 10.1016/j.bmcl.2014.04.058 RAW264.7 2

Data from ChEMBL 36 via Core Engine