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Compound Detail

CHEMBL3939385

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CCN(CC)c1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cc1

Basic Information

ChEMBL ID CHEMBL3939385
Phase Preclinical
Structure Type MOL
InChI Key UJKGDGDFGOYPIL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
4.46
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25FN2O2
MW 368.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.08

Activity Summary

Ki 1 meas. best 7.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Microtubule-associated protein tau
CHEMBL1293224
Ki 7.46 7.46 34.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine