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Compound Detail

CHEMBL2151306

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COc1cc(C)c(Nc2nc(-c3ccc(-n4cnc(C)c4)c(OC)n3)n[nH]2)cc1C(C)C

Basic Information

ChEMBL ID CHEMBL2151306
Phase Preclinical
Structure Type MOL
InChI Key LUCIXKFERUMWEG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
4.55
ALogP
8
HBA
2
HBD
102.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N7O2
MW 433.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8.0 nM 8.1 Inhibition of gamma secretase assessed as reduction in Abeta42 production 21141968

Literature References

PubMed DOI Target Context # Activities
21141968 10.1021/jm101168r Unchecked 1

Data from ChEMBL 36 via Core Engine