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Compound Detail

CHEMBL3752548

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CCOC(=O)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752548
Phase Preclinical
Structure Type MOL
InChI Key AMVFMXPOKMJZSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
4.70
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.71
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 C20H22N2O2
MW 322.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00307E NAD-dependent protein deacetylase sirtuin-1 2
- 10.1039/C5MD00307E NAD-dependent protein deacetylase sirtuin-2 2
- 10.1039/C5MD00307E CCRF-CEM 1
- 10.1039/C5MD00307E NON-PROTEIN TARGET 1
- 10.1039/C5MD00307E MDA-MB-468 1

Data from ChEMBL 36 via Core Engine