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Compound Detail

CHEMBL3696433

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CC(C)[C@H](CO)NCc1nc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)ccc1F

Basic Information

ChEMBL ID CHEMBL3696433
Phase Preclinical
Structure Type MOL
InChI Key HGJDDNYWVQQSHX-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
4.73
ALogP
6
HBA
2
HBD
76.4
PSA (Ų)
0.59
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 C24H30FN3O3
MW 427.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 3
CHEMBL5522
IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine