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Compound Detail

CHEMBL4555144

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Cc1cccnc1CN1CCC(C(=O)NCc2ccc(-c3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4555144
Phase Preclinical
Structure Type MOL
InChI Key GSIWSPCEEDDYCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
4.59
ALogP
3
HBA
1
HBD
45.2
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 C26H29N3O
MW 399.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.42

Literature References

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

Data from ChEMBL 36 via Core Engine