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Compound Detail

CHEMBL3330746

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CC(C)(C)n1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c2sc(-c3ccc(C=O)s3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330746
Phase Preclinical
Structure Type MOL
InChI Key VEFGLNDHHAEDDR-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

588.8
MW (Da)
11.35
ALogP
6
HBA
0
HBD
25.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H28N2OS3
MW 588.82
Aromatic Rings 7
Heavy Atoms 41
NP-Likeness -0.66

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25086914 10.1016/j.ejmech.2014.07.095 Amyloid-beta precursor protein 2
25086914 10.1016/j.ejmech.2014.07.095 Microtubule-associated protein tau 2
30055886 10.1016/j.bmcl.2018.07.025 ADMET 1
30055886 10.1016/j.bmcl.2018.07.025 HeLa 1
30055886 10.1016/j.bmcl.2018.07.025 No relevant target 1

Data from ChEMBL 36 via Core Engine