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Compound Detail

CHEMBL5205353

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CN(C)c1ncc(/C=C/C=C/C=C/C=C(C#N)C#N)cn1

Basic Information

ChEMBL ID CHEMBL5205353
Phase Preclinical
Structure Type MOL
InChI Key TVVFTDOQWLZMLK-GJOOXVBWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.64
ALogP
5
HBA
0
HBD
76.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N5
MW 277.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.36

Activity Summary

Ki 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 6.01 6.01 978.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 978.2 nM 6.01 Binding affinity to amyloid beta (unknown origin) 35759679

Literature References

PubMed DOI Target Context # Activities
35759679 10.1021/acs.jmedchem.1c01619 Unchecked 1

Data from ChEMBL 36 via Core Engine