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Compound Detail

CHEMBL4740698

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O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1c2ccccc2c(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4740698
Phase Preclinical
Structure Type MOL
InChI Key WMLGQMQGTHXPGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
3.85
ALogP
6
HBA
0
HBD
88.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N4O4
MW 428.45
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.99

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