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Compound Detail

CHEMBL4550398

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O=[N+]([O-])c1ccc(Oc2nc(-c3ccccc3)nc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4550398
Phase Preclinical
Structure Type MOL
InChI Key DJJXFCMIXFLLIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
5.00
ALogP
5
HBA
0
HBD
78.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13N3O3
MW 343.34
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
30390439 10.1016/j.ejmech.2018.10.026 Broad substrate specificity ATP-binding cassette transporter ABCG2 1
30390439 10.1016/j.ejmech.2018.10.026 No relevant target 1
30390439 10.1016/j.ejmech.2018.10.026 ATP-dependent translocase ABCB1 1
30390439 10.1016/j.ejmech.2018.10.026 Multidrug resistance-associated protein 1 1

Data from ChEMBL 36 via Core Engine