Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3105183

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)c1ccc(-c2nc3cc(C(=O)O)ccc3n2CCO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3105183
Phase Preclinical
Structure Type MOL
InChI Key BBKXDIXATRWQHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.46
ALogP
5
HBA
2
HBD
78.6
PSA (Ų)
0.75
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 C18H19N3O3
MW 325.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
24387981 10.1016/j.bmc.2013.12.029 NAD-dependent protein deacetylase sirtuin-2 2
24387981 10.1016/j.bmc.2013.12.029 NAD-dependent protein deacetylase sirtuin-1 2

Data from ChEMBL 36 via Core Engine