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Compound Detail

CHEMBL4163136

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Cn1cc(C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc4nnc5ccccn45)c3)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4163136
Phase Preclinical
Structure Type MOL
InChI Key KVWDATZXPYAYKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.6
MW (Da)
4.02
ALogP
9
HBA
2
HBD
115.4
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 C26H23N7O3S
MW 513.58
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -2.67

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