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Compound Detail

CHEMBL4521731

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COc1cc2c(cc1OC)-c1c(C#N)c(-c3ccccc3)c(C)n1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4521731
Phase Preclinical
Structure Type MOL
InChI Key ZXOISARTLBWJEE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
4.58
ALogP
4
HBA
0
HBD
47.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O2
MW 344.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.30

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31260312 10.1021/acs.jmedchem.9b00248 Potassium channel subfamily K member 9 1

Data from ChEMBL 36 via Core Engine