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Compound Detail

CHEMBL4571673

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O=C(Cn1ccnc1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4571673
Phase Preclinical
Structure Type MOL
InChI Key SZNSAAFNQBTXMB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

201.2
MW (Da)
1.52
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11N3O
MW 201.23
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -2.26

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1
34472337 10.1021/acs.jmedchem.1c00633 Heme oxygenase 2 1
34472337 10.1021/acs.jmedchem.1c00633 Heme oxygenase 1 1

Data from ChEMBL 36 via Core Engine