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Compound Detail

CHEMBL4288211

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O=[N+]([O-])c1ccc(CN2CCc3c([nH]c4ccccc34)C2c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL4288211
Phase Preclinical
Structure Type MOL
InChI Key WRLVVGVTLMBILM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
5.22
ALogP
3
HBA
1
HBD
62.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O2
MW 383.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL5011
IC50 5.48 5.48 3300.0 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