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Compound Detail

CHEMBL3306907

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O=C(/C=N/O)Nc1ccc[n+](Cc2ccc(C[n+]3cccc(NC(=O)/C=N/O)c3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306907
Phase Preclinical
Structure Type MOL
InChI Key KBDPMEZJEUHKAP-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
1.16
ALogP
6
HBA
4
HBD
131.1
PSA (Ų)
0.18
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N6O4+2
MW 434.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine