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Compound Detail

CHEMBL243492

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COc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1

Basic Information

ChEMBL ID CHEMBL243492
Phase Preclinical
Structure Type MOL
InChI Key UHWSXUDQNJUYHV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
3.08
ALogP
4
HBA
0
HBD
29.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O
MW 267.33
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.71

Activity Summary

Ki 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.42 7.42 38.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17722900 10.1021/jm0702231 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine