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Compound Detail

CHEMBL82174

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Nc1ccc(-c2ccc(F)cc2)n[n+]1CCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82174
Phase Preclinical
Structure Type MOL
InChI Key VRPNSTKGQASCHQ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.62
ALogP
3
HBA
2
HBD
80.1
PSA (Ų)
0.81
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 C14H15FN3O2+
MW 276.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.38

Data from ChEMBL 36 via Core Engine