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Compound Detail

CHEMBL365354

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O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCCO2

Basic Information

ChEMBL ID CHEMBL365354
Phase Preclinical
Structure Type MOL
InChI Key KLGHLIUARUITQS-MDWZMJQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
4.78
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.68
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 C23H19NO3
MW 357.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.4 4.4 39810.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 39810.72 nM 4.4 Inhibition of rat human chimera TRPV1 channel expressed in CHO cells 17948977

Literature References

PubMed DOI Target Context # Activities
15634002 10.1021/jm049485i Transient receptor potential cation channel subfamily V member 1 2
17948977 10.1021/jm070261k Unchecked 2

Data from ChEMBL 36 via Core Engine