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Compound Detail

CHEMBL1189635

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O/N=C\c1cccc[n+]1COCCOC[n+]1ccccc1/C=N/O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189635
Phase Preclinical
Structure Type MOL
InChI Key MAIVAQATPBBPDB-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
0.53
ALogP
6
HBA
2
HBD
91.4
PSA (Ų)
0.23
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N4O4+2
MW 332.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine