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Compound Detail

CHEMBL4559310

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O=C(Cc1ccc(/N=N/c2ccccc2)cc1)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4559310
Phase Preclinical
Structure Type MOL
InChI Key SZSDFEFHXLCFQJ-HBPDSDHJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

590.7
MW (Da)
6.92
ALogP
6
HBA
3
HBD
129.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H34N4O5
MW 590.68
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
31117516 10.1021/acs.jmedchem.9b00315 NAD-dependent protein deacetylase sirtuin-2 1

Data from ChEMBL 36 via Core Engine