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Compound Detail

CHEMBL2325202

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Cc1ccc(OCC#Cc2cccc(C#CCOc3ccc(C)cc3)[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2325202
Phase Preclinical
Structure Type MOL
InChI Key NZXMAAMICMQPLK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.99
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24NO2+
MW 382.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
23473309 10.1021/jm301564f Voltage-gated inwardly rectifying potassium channel KCNH2 2

Data from ChEMBL 36 via Core Engine