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Compound Detail

CHEMBL81992

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Nc1ccc(Cl)n[n+]1CCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL81992
Phase Preclinical
Structure Type MOL
InChI Key SIEZPKFLAYBFED-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

216.7
MW (Da)
0.47
ALogP
3
HBA
2
HBD
80.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11ClN3O2+
MW 216.65
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.02

Data from ChEMBL 36 via Core Engine