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Compound Detail

CHEMBL1186573

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O=C(/C=C/c1cccc(/C=N/OCCN2CCOCC2)c1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186573
Phase Preclinical
Structure Type MOL
InChI Key XSVOLQCIGHULKN-CHOBFXNPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
0.89
ALogP
6
HBA
2
HBD
83.4
PSA (Ų)
0.26
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 C16H21N3O4
MW 319.36
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.00

Data from ChEMBL 36 via Core Engine