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Compound Detail

CHEMBL3580810

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N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cn3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580810
Phase Preclinical
Structure Type MOL
InChI Key KVRIEJIGBVKXQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
3.66
ALogP
5
HBA
2
HBD
112.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13ClN4O3S
MW 412.86
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.41

Literature References

PubMed DOI Target Context # Activities
26005542 10.1021/acsmedchemlett.5b00075 NAD-dependent protein deacetylase sirtuin-2 1

Data from ChEMBL 36 via Core Engine