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Compound Detail

CHEMBL413920

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CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)Nc2cccc(C(=O)O)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL413920
Phase Preclinical
Structure Type MOL
InChI Key ALJMBXYHUCBFDM-IZZNHLLZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

546.6
MW (Da)
3.38
ALogP
6
HBA
4
HBD
148.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N4O6
MW 546.62
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
18261904 10.1016/j.bmcl.2008.01.056 Beta-secretase 1 1

Data from ChEMBL 36 via Core Engine