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Compound Detail

CHEMBL3769737

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Cc1cc(C)cc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769737
Phase Preclinical
Structure Type MOL
InChI Key NPXJBJAXADYBHP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.6
MW (Da)
6.23
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.38
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 C24H22N2OS2
MW 418.59
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.85

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