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Compound Detail

CHEMBL5518142

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COc1ccccc1[C@H]1CC[C@@H](N2CCN(c3cccnc3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL5518142
Phase Preclinical
Structure Type MOL
InChI Key VYZYMNCYVICJSV-KDURUIRLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
3.94
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O
MW 351.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 6
CHEMBL1628465
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38588625 10.1016/j.ejmech.2024.116379 Transient receptor potential cation channel subfamily V member 6 1

Data from ChEMBL 36 via Core Engine