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Compound Detail

CHEMBL5284265

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CCCCC/C=C/C/C=C\C/C=C/C/C=C/CCCC(=O)NCCc1ccc(O)c(O)c1

Basic Information

ChEMBL ID CHEMBL5284265
Phase Preclinical
Structure Type MOL
InChI Key MVVPIAAVGAWJNQ-KRVWOSPUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
6.90
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.14
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H41NO3
MW 439.64
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.64

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27437828 10.1021/acs.jmedchem.6b00305 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine