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Compound Detail

CHEMBL4787174

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CCOC(=O)c1ccc(-n2nc(/C=C/c3ccc(OC)c(OC)c3)cc2/C=C/c2ccc(OC)c(OC)c2)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4787174
Phase Preclinical
Structure Type MOL
InChI Key HTFALWZOQNYQCU-MKICQXMISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

585.6
MW (Da)
6.33
ALogP
10
HBA
0
HBD
124.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31N3O8
MW 585.61
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
32403017 10.1016/j.ejmech.2020.112331 Unchecked 2

Data from ChEMBL 36 via Core Engine