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Compound Detail

CHEMBL4574692

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O=C(NCc1ccc(-c2ccccc2)cc1)C1CCN(Cc2ccccc2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4574692
Phase Preclinical
Structure Type MOL
InChI Key HWBVCNNEBJMJOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.59
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2O2
MW 400.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
31057728 10.1039/C8MD00548F Egl nine homolog 1 2

Data from ChEMBL 36 via Core Engine