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Compound Detail

CHEMBL4458112

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C=CCc1cc(N=O)c(O)c(-c2cc(CC=C)c(O)c(N=O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458112
Phase Preclinical
Structure Type MOL
InChI Key SDBRKOIKPYTDIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

324.3
MW (Da)
5.02
ALogP
6
HBA
2
HBD
99.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O4
MW 324.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
31278004 10.1016/j.bmc.2019.06.042 K562 1
31278004 10.1016/j.bmc.2019.06.042 A549 1
31278004 10.1016/j.bmc.2019.06.042 HepG2 1
31278004 10.1016/j.bmc.2019.06.042 No relevant target 1

Data from ChEMBL 36 via Core Engine