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Compound Detail

CHEMBL371066

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CN(C)c1ccc(/C=C/c2ccc(OCC3COC(C)(C)OC3)cc2)cc1

Basic Information

ChEMBL ID CHEMBL371066
Phase Preclinical
Structure Type MOL
InChI Key DAPCVMUQFKTPRT-AATRIKPKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
4.70
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29NO3
MW 367.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.04

Activity Summary

Ki 1 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.23 7.23 59.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16162001 10.1021/jm050166g Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine