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Compound Detail

CHEMBL4788475

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O=c1c(NCc2ccccn2)c(Nc2ccc3scnc3c2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788475
Phase Preclinical
Structure Type MOL
InChI Key GUIOMVLBCCQUOM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.64
ALogP
7
HBA
2
HBD
84.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N4O2S
MW 336.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
32927218 10.1016/j.ejmech.2020.112538 Unchecked 3
32927218 10.1016/j.ejmech.2020.112538 Vero 1
32927218 10.1016/j.ejmech.2020.112538 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine