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Compound Detail

CHEMBL4447755

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O=[N+]([O-])c1ccccc1-n1cc(-c2cccc(Nc3ncnc4cc5c(cc34)OCO5)c2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4447755
Phase Preclinical
Structure Type MOL
InChI Key TWFZMXHJJFTMRA-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
4.26
ALogP
10
HBA
1
HBD
130.1
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15N7O4
MW 453.42
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.57

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
30337229 10.1016/j.bmcl.2018.10.016 KB 1
30337229 10.1016/j.bmcl.2018.10.016 HepG2 1
30337229 10.1016/j.bmcl.2018.10.016 SK-LU-1 1

Data from ChEMBL 36 via Core Engine