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Compound Detail

CHEMBL4519474

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COc1ccc2oc(-c3ccc4ncccc4c3)c(O)c(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4519474
Phase Preclinical
Structure Type MOL
InChI Key GRUPXXRFBGRZSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
3.72
ALogP
5
HBA
1
HBD
72.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13NO4
MW 319.32
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
31542713 10.1016/j.ejmech.2019.111676 786-0 1
31542713 10.1016/j.ejmech.2019.111676 A549 1
31542713 10.1016/j.ejmech.2019.111676 Voltage-gated inwardly rectifying potassium channel KCNH2 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 1A2 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2C9 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2C19 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 2D6 1
31542713 10.1016/j.ejmech.2019.111676 Cytochrome P450 3A4 1
31542713 10.1016/j.ejmech.2019.111676 THP-1 1
31542713 10.1016/j.ejmech.2019.111676 Trypanosoma brucei 1

Data from ChEMBL 36 via Core Engine