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Compound Detail

CHEMBL4747192

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COc1ccccc1N1CCN(C(=O)n2c3ccccc3c(=O)c3cc([N+](=O)[O-])ccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4747192
Phase Preclinical
Structure Type MOL
InChI Key DUZMQQCRAGLHAW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
3.86
ALogP
7
HBA
0
HBD
97.9
PSA (Ų)
0.26
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N4O5
MW 458.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
33212157 10.1016/j.bmcl.2020.127687 K562 1
33212157 10.1016/j.bmcl.2020.127687 Unchecked 1

Data from ChEMBL 36 via Core Engine