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Compound Detail

CHEMBL3696420

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CC(C)[C@H](CO)NCc1nc([C@H]2CC[C@@H](C(F)(F)F)CC2)ccc1F

Basic Information

ChEMBL ID CHEMBL3696420
Phase Preclinical
Structure Type MOL
InChI Key JOWFKFXTPBDYEY-AHIWAGSCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
4.16
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26F4N2O
MW 362.41
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 3
CHEMBL5522
IC50 6.47 6.47 340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine