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Compound Detail

CHEMBL3973145

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CN(C)c1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cn1

Basic Information

ChEMBL ID CHEMBL3973145
Phase Preclinical
Structure Type MOL
InChI Key PJXHDWLCDHYPAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
3.07
ALogP
5
HBA
1
HBD
58.5
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 C19H20FN3O2
MW 341.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.24

Activity Summary

Ki 1 meas. best 7.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Microtubule-associated protein tau
CHEMBL1293224
Ki 7.67 7.67 21.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine