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Compound Detail

CHEMBL4557919

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O=C(NCc1ccc(-c2ccccc2)cc1)C1CCN(Cc2ncccc2O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4557919
Phase Preclinical
Structure Type MOL
InChI Key ZNBTXOOTWDJXBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
3.98
ALogP
4
HBA
2
HBD
65.5
PSA (Ų)
0.66
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 C25H27N3O2
MW 401.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.15

Literature References

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

Data from ChEMBL 36 via Core Engine