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Compound Detail

CHEMBL466130

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COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c3ccc(C)nc3c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466130
Phase Preclinical
Structure Type MOL
InChI Key ATORGAZGKVYXDX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.10
ALogP
6
HBA
2
HBD
114.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O5
MW 367.36
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.20

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