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Compound Detail

CHEMBL4444098

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CC(C)n1ccc(CC(=O)N2CCN(c3cncc4ccccc34)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4444098
Phase Preclinical
Structure Type MOL
InChI Key AFPFDSKHGGNPDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
2.90
ALogP
5
HBA
0
HBD
54.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O
MW 363.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 170.0 nM 6.77 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