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Compound Detail

CHEMBL4116007

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NC(=O)c1cc[n+](COC[n+]2ccc(/C=N/O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116007
Phase Preclinical
Structure Type MOL
InChI Key NOQMOJFWMRMNCX-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
-0.20
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N4O3+2
MW 288.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.46

Data from ChEMBL 36 via Core Engine