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Compound Detail

CHEMBL126722

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N#CCOc1cccc(-c2ocnc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126722
Phase Preclinical
Structure Type MOL
InChI Key ZNNGRBBZDQQNRR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
6.23
ALogP
6
HBA
0
HBD
85.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H17N3O3
MW 419.44
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
7504734 10.1021/jm00076a018 Homo sapiens 2

Data from ChEMBL 36 via Core Engine