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Compound Detail

CHEMBL3770074

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O=C(CSc1cccc(O)c1)Nc1ncc(Cc2cccc3ccccc23)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3770074
Phase Preclinical
Structure Type MOL
InChI Key BLIRTTVFJHDNNN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
5.32
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N2O2S2
MW 406.53
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.66

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26696402 10.1021/acs.jmedchem.5b01517 NAD-dependent protein deacetylase sirtuin-1 1
26696402 10.1021/acs.jmedchem.5b01517 NAD-dependent protein deacetylase sirtuin-2 1

Data from ChEMBL 36 via Core Engine