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Compound Detail

CHEMBL5221364

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COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221364
Phase Preclinical
Structure Type MOL
InChI Key TYHUNKODVWHGPY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.5
MW (Da)
4.45
ALogP
3
HBA
0
HBD
27.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N2O2+
MW 387.50
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine