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Compound Detail

CHEMBL381518

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Oc1ncnc2cc(-c3ccccc3)sc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381518
Phase Preclinical
Structure Type MOL
InChI Key XSAILWORLBSSMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
3.06
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8N2OS
MW 228.28
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
16686533 10.1021/jm0510979 Inhibitor of nuclear factor kappa-B kinase subunit beta 1

Data from ChEMBL 36 via Core Engine