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Compound Detail

CHEMBL4292483

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COc1ccc2[nH]c(=O)c(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4292483
Phase Preclinical
Structure Type MOL
InChI Key RYWOXJCRZULBTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
2.99
ALogP
5
HBA
2
HBD
113.9
PSA (Ų)
0.44
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 C17H12N4O4
MW 336.31
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
30092368 10.1016/j.ejmech.2018.07.066 HepG2 1
30092368 10.1016/j.ejmech.2018.07.066 SK-OV-3 1
30092368 10.1016/j.ejmech.2018.07.066 NCI-H460 1
30092368 10.1016/j.ejmech.2018.07.066 BEL-7404 tumor cell line 1
30092368 10.1016/j.ejmech.2018.07.066 L02 1

Data from ChEMBL 36 via Core Engine