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Compound Detail

CHEMBL3330751

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COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(C=O)s4)cc2n3C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330751
Phase Preclinical
Structure Type MOL
InChI Key DKWVOINDEURCIH-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
7.89
ALogP
6
HBA
0
HBD
31.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21NO2S3
MW 451.64
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.63

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