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Compound Detail

CHEMBL5202030

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CN(C)c1ccc2cc3c(cc2c1)OCC(C=C(C#N)C#N)=C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202030
Phase Preclinical
Structure Type MOL
InChI Key CWZNCULKEXBYJV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
3.66
ALogP
4
HBA
0
HBD
60.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N3O
MW 301.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.40

Activity Summary

Kd 1 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Kd 7.35 7.35 44.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 44.6 nM 7.35 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