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Compound Detail

CHEMBL452967

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Cc1n[nH]c(C)c1Nc1nc(-c2ccc(O)c(O)c2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452967
Phase Preclinical
Structure Type MOL
InChI Key KEMKUVXKUOWDDE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.30
ALogP
6
HBA
4
HBD
94.1
PSA (Ų)
0.56
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 C14H14N4O2S
MW 302.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
19285872 10.1016/j.bmc.2009.02.041 Inhibitor of nuclear factor kappa-B kinase subunit beta 2

Data from ChEMBL 36 via Core Engine