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Compound Detail

CHEMBL1184328

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CC1(C)C(=O)C2c3ccccc3C1[n+]1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1184328
Phase Preclinical
Structure Type MOL
InChI Key FOIKFBKEQLCUEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
2.62
ALogP
1
HBA
0
HBD
20.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16NO+
MW 250.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.29

Data from ChEMBL 36 via Core Engine