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Compound Detail

CHEMBL247730

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CN(CCN(C)c1nc2ccccc2s1)c1nc2ccccc2s1

Basic Information

ChEMBL ID CHEMBL247730
Phase Preclinical
Structure Type MOL
InChI Key LYZBPIIKNUGENU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.5
MW (Da)
4.48
ALogP
6
HBA
0
HBD
32.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4S2
MW 354.50
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.30

Activity Summary

Ki 1 meas. best 9.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 9.28 9.28 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.53 nM 9.28 Displacement of [125I]TZDM from human beta amyloid fibril 1-42 17544669

Literature References

PubMed DOI Target Context # Activities
17544669 10.1016/j.bmcl.2007.04.079 Unchecked 1

Data from ChEMBL 36 via Core Engine