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Compound Detail

CHEMBL3785466

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CNc1nc2ccccc2n2ccnc12

Basic Information

ChEMBL ID CHEMBL3785466
Phase Preclinical
Structure Type MOL
InChI Key PQWJZPICCLXEMQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
1.92
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.65
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 C11H10N4
MW 198.23
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
27017554 10.1016/j.ejmech.2016.03.006 Inhibitor of nuclear factor kappa-B kinase subunit alpha 1
27017554 10.1016/j.ejmech.2016.03.006 Inhibitor of nuclear factor kappa-B kinase subunit beta 1
33309473 10.1016/j.ejmech.2020.113031 A-375 1

Data from ChEMBL 36 via Core Engine