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Compound Detail

CHEMBL2221052

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NCCCCNCc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221052
Phase Preclinical
Structure Type MOL
InChI Key HHOLHXMMOICOLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
4.01
ALogP
5
HBA
2
HBD
81.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O3
MW 400.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.34

Data from ChEMBL 36 via Core Engine