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Compound Detail

CHEMBL4442184

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O=C(Cc1nc(C(F)(F)F)cs1)N1CCN(c2cncc3ccccc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442184
Phase Preclinical
Structure Type MOL
InChI Key DNOOAHXQBJCFIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
3.60
ALogP
5
HBA
0
HBD
49.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F3N4OS
MW 406.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.64

Activity Summary

EC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 400.0 nM 6.4 Inhibition of mouse derived homozygous Tg0N4R P301S mutant tau-induced human ON4... 32071678

Literature References

PubMed DOI Target Context # Activities
32071678 10.1021/acsmedchemlett.9b00480 Unchecked 1
32071678 10.1021/acsmedchemlett.9b00480 ADMET 1

Data from ChEMBL 36 via Core Engine