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Compound Detail

CHEMBL3985550

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CNc1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cc1

Basic Information

ChEMBL ID CHEMBL3985550
Phase Preclinical
Structure Type MOL
InChI Key QXGZMQJLUUBGMN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
3.65
ALogP
4
HBA
2
HBD
54.4
PSA (Ų)
0.73
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 C19H19FN2O2
MW 326.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.77

Activity Summary

Ki 1 meas. best 7.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Microtubule-associated protein tau
CHEMBL1293224
Ki 7.98 7.98 10.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine