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Compound Detail

CHEMBL3915417

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NC(=O)c1cccc(Nc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3915417
Phase Preclinical
Structure Type MOL
InChI Key USAQIWWHDAVIIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
2.53
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O
MW 212.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
27153347 10.1016/j.ejmech.2016.04.063 NAD-dependent protein deacetylase sirtuin-1 1

Data from ChEMBL 36 via Core Engine