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Compound Detail

CHEMBL4740003

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Cc1cccc([C@H]2CC[C@@H](N3CCN(Cc4ccc(=O)[nH]c4)CC3)CC2)c1

Basic Information

ChEMBL ID CHEMBL4740003
Phase Preclinical
Structure Type MOL
InChI Key GNTPANYIJLPNBS-GRGXKFILSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
3.53
ALogP
3
HBA
1
HBD
39.3
PSA (Ų)
0.90
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 C23H31N3O
MW 365.52
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 6
CHEMBL1628465
IC50 6.82 6.82 150.0 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