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Compound Detail

CHEMBL468960

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Cc1ccc2c(O)c(C(=O)Nc3ccc4c(O)c(C(=O)O)cc([N+](=O)[O-])c4n3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468960
Phase Preclinical
Structure Type MOL
InChI Key YOUQSFVDRFZVNU-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
3.36
ALogP
8
HBA
4
HBD
175.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14N4O7
MW 434.36
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.95

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
18342517 10.1016/j.bmc.2008.02.065 No relevant target 1
18342517 10.1016/j.bmc.2008.02.065 Spinacia oleracea 1
18342517 10.1016/j.bmc.2008.02.065 Chlorella vulgaris 1

Data from ChEMBL 36 via Core Engine