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Compound Detail

CHEMBL4760109

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Brc1ccc(CN2CCN([C@H]3CC[C@@H](c4ccccc4)CC3)CC2)cn1

Basic Information

ChEMBL ID CHEMBL4760109
Phase Preclinical
Structure Type MOL
InChI Key ZVKZIMHLZWXQQI-OYRHEFFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
4.69
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28BrN3
MW 414.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 6
CHEMBL1628465
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33479695 10.1039/d0md00145g Transient receptor potential cation channel subfamily V member 6 1

Data from ChEMBL 36 via Core Engine