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Compound Detail

CHEMBL4173707

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Cc1cc(C)cc(OCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cccs4)cc3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173707
Phase Preclinical
Structure Type MOL
InChI Key ZEFPOERMRWZNJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
6.21
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N2O4S
MW 486.59
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
29957526 10.1016/j.ejmech.2018.06.041 NAD-dependent protein deacetylase sirtuin-2 2

Data from ChEMBL 36 via Core Engine