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Compound Detail

CHEMBL4213700

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Nc1nccn2c(-c3ccc(O)c(O)c3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4213700
Phase Preclinical
Structure Type MOL
InChI Key PIYLFBGYTMZLTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
1.39
ALogP
6
HBA
3
HBD
96.7
PSA (Ų)
0.56
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 C12H10N4O2
MW 242.24
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
28750313 10.1016/j.ejmech.2017.07.021 Inhibitor of nuclear factor kappa-B kinase subunit alpha 1
28750313 10.1016/j.ejmech.2017.07.021 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