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Compound Detail

CHEMBL4291622

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O=C(CN1CCc2c([nH]c3ccccc23)C1c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL4291622
Phase Preclinical
Structure Type MOL
InChI Key OLZYWVFADQKAQN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
5.00
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.52
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 C25H22N2O
MW 366.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL5011
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29939028 10.1021/acs.jmedchem.8b00545 Transient receptor potential cation channel subfamily M member 8 1

Data from ChEMBL 36 via Core Engine