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Compound Detail

CHEMBL512637

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Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c3ccc(C)nc3c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512637
Phase Preclinical
Structure Type MOL
InChI Key VWCBUZQKQGKQAD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.40
ALogP
5
HBA
2
HBD
105.4
PSA (Ų)
0.55
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 C19H17N3O4
MW 351.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.33

Activity Summary

IC50 1 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