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Compound Detail

CHEMBL3947029

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CNc1ccc(-c2ccc3cc(OCC(O)CF)ccc3n2)cn1

Basic Information

ChEMBL ID CHEMBL3947029
Phase Preclinical
Structure Type MOL
InChI Key DLVXFZWSPCOWSN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.05
ALogP
5
HBA
2
HBD
67.3
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 C18H18FN3O2
MW 327.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Microtubule-associated protein tau
CHEMBL1293224
Ki 7.4 7.4 40.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine