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Compound Detail

CHEMBL5835028

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NC1CC(F)CN(C2CC(c3ccc(F)cc3)CC2n2cccn2)C1

Basic Information

ChEMBL ID CHEMBL5835028
Phase Preclinical
Structure Type MOL
InChI Key YYBCNHLZAHJUAY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.88
ALogP
4
HBA
1
HBD
47.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24F2N4
MW 346.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.76

Activity Summary

IC50 2 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Short transient receptor potential channel 6
CHEMBL2417347
IC50 8.47 8.47 3.4 1
Short transient receptor potential channel 3
CHEMBL2417348
IC50 8.18 8.18 6.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine