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Compound Detail

CHEMBL3306779

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O=C(/C=N/O)Nc1ccc[n+](CC[n+]2cccc(NC(=O)/C=N/O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306779
Phase Preclinical
Structure Type MOL
InChI Key NJGIMKGMVJUETG-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
-0.24
ALogP
6
HBA
4
HBD
131.1
PSA (Ų)
0.24
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N6O4+2
MW 358.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.32

Data from ChEMBL 36 via Core Engine