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Compound Detail

CHEMBL3354211

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CC(C)NC(=O)CCCC1CC(=O)c2cc(Cl)cc(Br)c2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3354211
Phase Preclinical
Structure Type MOL
InChI Key NPVKWBIJVJFUMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.7
MW (Da)
4.13
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.82
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 C16H19BrClNO3
MW 388.69
Aromatic Rings 1
Heavy Atoms 22

Literature References

PubMed DOI Target Context # Activities
25383691 10.1021/jm500930h NAD-dependent protein deacetylase sirtuin-2 2

Data from ChEMBL 36 via Core Engine