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Compound Detail

CHEMBL5523388

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CN(C)c1ccnc(CNCCSC2c3ccccc3C=Cc3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5523388
Phase Preclinical
Structure Type MOL
InChI Key NUQDHVIKMAWDND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.6
MW (Da)
5.24
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3S
MW 401.58
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
38484678 10.1016/j.ejmech.2024.116302 NAD-dependent protein deacetylase sirtuin-2 1

Data from ChEMBL 36 via Core Engine