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Compound Detail

CHEMBL11392

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CCOC(=O)N(c1ccccc1)C1c2cc(C#N)ccc2OC(C)(C)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11392
Phase Preclinical
Structure Type MOL
InChI Key JZYLFWXOYOZUTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.79
ALogP
5
HBA
1
HBD
82.8
PSA (Ų)
0.89
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 C21H22N2O4
MW 366.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
14971888 10.1021/jm030291x Mitochondrial complex V; ATP synthase 1
14971888 10.1021/jm030291x Unchecked 1

Data from ChEMBL 36 via Core Engine