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Compound Detail

CHEMBL3814820

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

Basic Information

ChEMBL ID CHEMBL3814820
Phase Preclinical
Structure Type MOL
InChI Key YEIJBNMGYCYMKI-VAWYXSNFSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
2.02
ALogP
3
HBA
0
HBD
37.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N3O
MW 191.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.17

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
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Candida albicans 1

Data from ChEMBL 36 via Core Engine