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Compound Detail

CHEMBL226670

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CC(C)(C)c1ccc(-c2cc(Cc3ccc4c(c3)OCCO4)ncn2)cc1

Basic Information

ChEMBL ID CHEMBL226670
Phase Preclinical
Structure Type MOL
InChI Key JXVJBWRJQBMXHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.80
ALogP
4
HBA
0
HBD
44.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O2
MW 360.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
IC50 6.04 6.04 914.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17585749 10.1021/jm070189q Transient receptor potential cation channel subfamily V member 1 3

Data from ChEMBL 36 via Core Engine