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Compound Detail

CHEMBL4166691

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O=c1c2cc3ccccc3cc2nc2c3ccccc3nc(-c3ccccc3)n12

Basic Information

ChEMBL ID CHEMBL4166691
Phase Preclinical
Structure Type MOL
InChI Key CJICZMGJYKAZJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
5.22
ALogP
4
HBA
0
HBD
47.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H15N3O
MW 373.42
Aromatic Rings 6
Heavy Atoms 29
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
31411465 10.1021/acs.jmedchem.9b00723 Kelch-like ECH-associated protein 1 4
31411465 10.1021/acs.jmedchem.9b00723 No relevant target 3
30108745 10.1039/C6MD00500D Nuclear factor erythroid 2-related factor 2 1
31411465 10.1021/acs.jmedchem.9b00723 KEAP1/NRF2 1

Data from ChEMBL 36 via Core Engine