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Compound Detail

CHEMBL1183283

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CC(C)OC[n+]1ccn(C)c1/C=N/O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183283
Phase Preclinical
Structure Type MOL
InChI Key XONOKWHTYHOQMP-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

198.2
MW (Da)
0.50
ALogP
4
HBA
1
HBD
50.6
PSA (Ų)
0.33
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 C9H16N3O2+
MW 198.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine