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Compound Detail

CHEMBL5870151

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NC1CC(F)CN(C2CC(c3ccc(F)cc3)CC2n2ncnn2)C1

Basic Information

ChEMBL ID CHEMBL5870151
Phase Preclinical
Structure Type MOL
InChI Key JTMAGZLVVBRGSP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
1.67
ALogP
6
HBA
1
HBD
72.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22F2N6
MW 348.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.52

Activity Summary

IC50 2 meas. best 8.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Short transient receptor potential channel 3
CHEMBL2417348
IC50 8.39 8.39 4.0 1
Short transient receptor potential channel 6
CHEMBL2417347
IC50 7.97 7.97 10.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine