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Compound Detail

CHEMBL4459417

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O=c1c(O)c(-c2ccco2)oc2ccc(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459417
Phase Preclinical
Structure Type MOL
InChI Key UZMINAMXTYSFAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

244.2
MW (Da)
2.46
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8O5
MW 244.20
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
31542713 10.1016/j.ejmech.2019.111676 Voltage-gated inwardly rectifying potassium channel KCNH2 1
31542713 10.1016/j.ejmech.2019.111676 786-0 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 A549 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