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Compound Detail

CHEMBL4524428

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Cc1nc2cc(N3CCN(c4cncc5ccccc45)CC3)ccn2n1

Basic Information

ChEMBL ID CHEMBL4524428
Phase Preclinical
Structure Type MOL
InChI Key QVPPAAZTVLDJAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
2.91
ALogP
6
HBA
0
HBD
49.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N6
MW 344.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.42

Activity Summary

EC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1100.0 nM 5.96 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