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Compound Detail

CHEMBL248959

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O=C(Nc1ccccc1Nc1ccccc1)c1ccc([N+](=O)[O-])o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248959
Phase Preclinical
Structure Type MOL
InChI Key BYZIOOQPQORZLC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
4.18
ALogP
5
HBA
2
HBD
97.4
PSA (Ų)
0.54
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 C17H13N3O4
MW 323.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
17904845 10.1016/j.bmcl.2007.09.057 Macrophage colony-stimulating factor 1 receptor 1

Data from ChEMBL 36 via Core Engine