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Compound Detail

CHEMBL5221257

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COCCOCCn1c2ccccc2c2cc(/C=C/c3cc[n+](CCO)c4ccccc34)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221257
Phase Preclinical
Structure Type MOL
InChI Key NOHHAZVGDGBZSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
5.06
ALogP
4
HBA
1
HBD
47.5
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31N2O3+
MW 467.59
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine