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Compound Detail

CHEMBL225118

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CN(CCO)c1ccc(C(=O)c2ccc(N(C)CCO)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225118
Phase Preclinical
Structure Type MOL
InChI Key SVIDPUWUNCALBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
1.77
ALogP
5
HBA
2
HBD
64.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O3
MW 328.41
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.67

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
30523084 10.1126/science.aat9446 HepG2-CD81 2
15566299 10.1021/jm049933m NAD-dependent protein deacetylase sirtuin-2 1

Data from ChEMBL 36 via Core Engine