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Compound Detail

CHEMBL3814999

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O=C(O)c1ccc(/N=N/N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3814999
Phase Preclinical
Structure Type MOL
InChI Key LYXNLRWQOCAEPG-OUKQBFOZSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.2
MW (Da)
1.72
ALogP
4
HBA
1
HBD
74.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3O3
MW 235.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.91

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
27265259 10.1016/j.bmcl.2016.05.064 Cytochrome P450 1A1 2
27265259 10.1016/j.bmcl.2016.05.064 Cytochrome P450 1B1 2

Data from ChEMBL 36 via Core Engine