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Compound Detail

CHEMBL124837

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COc1cc2c(NCCCCCO[N+](=O)[O-])ncnc2c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124837
Phase Preclinical
Structure Type MOL
InChI Key XEMQGFBCRICHHG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
2.45
ALogP
9
HBA
1
HBD
117.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N4O6
MW 366.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine