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Compound Detail

CHEMBL4116690

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CC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(C)c(C)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116690
Phase Preclinical
Structure Type MOL
InChI Key QUWXVIQPKZAESI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
4.75
ALogP
2
HBA
0
HBD
38.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28NO2+
MW 398.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.27

Data from ChEMBL 36 via Core Engine