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Compound Detail

CHEMBL3134120

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CN(C)c1ccc(-c2nnc(-c3ccc(I)cc3)o2)cn1

Basic Information

ChEMBL ID CHEMBL3134120
Phase Preclinical
Structure Type MOL
InChI Key NZAAVLOQHLEMML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.2
MW (Da)
3.47
ALogP
5
HBA
0
HBD
55.0
PSA (Ų)
0.64
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 C15H13IN4O
MW 392.20
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.76

Activity Summary

Ki 1 meas. best 7.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.61 7.61 24.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00189J Amyloid-beta precursor protein 2
- 10.1039/C3MD00189J No relevant target 1

Data from ChEMBL 36 via Core Engine