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Compound Detail

CHEMBL4464289

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COc1ccc2c(c1Cc1ccccc1)c(=O)n(CCCO)c(=O)n2C

Basic Information

ChEMBL ID CHEMBL4464289
Phase Preclinical
Structure Type MOL
InChI Key IALZIFIKWRPKFV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
1.68
ALogP
6
HBA
1
HBD
73.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O4
MW 354.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.50

Activity Summary

IC50 2 meas. best 7.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Short transient receptor potential channel 5
CHEMBL1250411
IC50 7.63 7.6 23.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27326323 10.1021/acsmedchemlett.6b00182 Short transient receptor potential channel 5 2

Data from ChEMBL 36 via Core Engine